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Your Location：Home>Product Center >> Benzyl、 chloride、 product >> 3,5-Dichloroaniline
  • 3,5-Dichloroaniline
Name:3,5-Dichloroaniline
CAS No:626-43-7

PRODUCT DESCRIPTION

【Name】
3,5-Dichloroaniline
【Iupac name】
3,5-dichloroaniline
【CAS Registry number】
626-43-7
【EINECS(EC#)】
210-948-9
【Molecular Formula】
C6H5Cl2N (Products with the same molecular formula)
【Molecular Weight】
162.02
【Inchi】
InChI=1/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
【Canonical SMILES】
C1=C(C=C(C=C1Cl)Cl)N
【MOL File】
626-43-7.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.58
【Melting Point】
49-53℃
【Boiling Point】
260℃ (741 mmHg)
【Refractive Index】
1.613 
【Flash Point】
133℃
【Water】
0.6 g/L (26℃)
【Solubilities】
Insoluble
【Color/Form】
dark gray
【Stability】
Stable under normal shipping and handling conditions. Substance may undergo color change upon exposure to light and air.
【HS Code】
29214210
【Storage temp】
0-6°C
【Spectral properties】
SADTLER REF NUMBER: 19146 (IR, PRISM)
IR: 8973 (Sadtler Research Laboratories IR Grating Collection)
UV: 6259 (Sadtler Research Laboratories Spectral Collection)
NMR: 2164 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:162.0166 [g/mol]
Molecular Formula:C6H5Cl2N
XLogP3:2.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:160.979905
MonoIsotopic Mass:160.979905
Topological Polar Surface Area:26
Heavy Atom Count:9
Formal Charge:0
Complexity:87.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic;N:Dangerousfortheenvironment;
【Risk Statements】
R23/24/25;R33;R50/53
【Safety Statements 】
S28;S36/37;S45;S60;S61
【HazardClass】
6.1
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?ToxicT,?DangerousN,?IrritantXi 
Risk Statements: 23/24/25-33-50/53
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed?
R33: Danger of cumulative effects?
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
Safety Statements: 28-36/37-45-60-61-28A
S28: After contact with skin, wash immediately with plenty of soap-suds?
S36/37: Wear suitable protective clothing and gloves.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)?
S60: This material and its container must be disposed of as hazardous waste?
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN 3442 6.1/PG 2
WGK Germany: 3
F: 8 
Hazard Note: Irritant 
HazardClass: 6.1 
PackingGroup: II 
HS Code: 29214210 
Hazardous Substances Data: 626-43-7(Hazardous Substances Data)

【PackingGroup 】
II
【Transport】
UN 3442
【Fire Fighting Procedures】
If material on fire or involved in fire: Use dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. use water in flooding quantities as fog. /Dichloroaniline/
Personnel protection: ... Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. /Dichloroaniline/
【DOT Emergency Guidelines】
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Dichloroanilines; Dichloroanilines, liquid; Dichloroanilines, solid/
【Other Preventative Measures】
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
... ANILINE SHOULD BE REACTED IN CLOSED VESSELS AS FAR AS POSSIBLE. IN FACTORIES VENTILATION SHOULD BE SUFFICIENT TO KEEP ATMOSPHERIC ANILINE CONTENT WELL BELOW PERMITTED LEVEL. /ANILINE/
Eating and smoking should not be allowed in areas where liquid aniline is handled, processed, or stored. /Aniline/
Clothing which becomes soaked with aniline should be promptly removed. /Aniline/
In the case of /skin/ contact it should be washed for a long time with soap & tepid water. When eyes are /exposed to aniline/ copious irrigation with water is immediately necessary ... . /Aniline/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Dichloroaniline/
Personnel protection: Avoid breathing dusts, and fumes from burning material. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Dichloroaniline/
【Protective Equipment and Clothing】
POSSIBLE EXPOSURE TO HIGHER CONCN (PIPE BREAKAGE, SPLASHING, CLEANING OR REPAIR OF STORAGE TANKS) NECESSITATES USE OF SAFETY GOGGLES, GAS MASK, APRON, & RUBBER GLOVES. /ANILINE/
RESPIRATOR FOR ORGANIC VAPORS, SPLASHPROOF GOGGLES ... /&/ BOOTS. /ANILINE/
Respiratory protection from aniline is as follows: vapor concentration of 100 ppm or less: a chemical cartridge respirator with a full facepiece and an organic vapor cartridge(s) or a gas mask with a chin-style front or back-mounted organic vapor canister or any supplied-air respirator with a full facepiece, helmet or hood, or any self-contained breathing apparatus with a full facepiece; greater than 100 ppm or entry and escape from unknown concentrations: self-contained breathing apparatus with a full facepiece operated in pressure demand or other positive pressure mode or a combination respirator which includes a type C supplied-air respirator with a full facepiece operated in pressure-demand or other positive pressure or continuous-flow mode and an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode; escape: any gas mask providing protection against organic vapors or any self-contained breathing apparatus. /Aniline/
Butyl rubber protective clothing ... . /Aniline/
【Specification】

?3,5-Dichloroaniline (CAS NO.626-43-7)? is also called Aniline, 3,5-dichloro- ; Benzenamine, 3,5-dichloro- ; CCRIS 2396 .?3,5-Dichloroaniline (CAS NO.626-43-7) is soluble in alcohol, ether, diethyl carbonate, insoluble in water.?It?is highly toxic corrosive.

【Octanol/Water Partition Coefficient】
log Kow= 2.90
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

BY CHLORINATION OF P-NITROANILINE WITH HYDROCHLORIC ACID & SODIUM HYPOCHLORITE FOLLOWED BY DIAZOTIZATION & SUBSEQUENT REDUCTIVE DECOMPOSITION IN ACID TO YIELD 3,5-DICHLORONITROBENZENE WHICH IS REDUCED WITH IRON & HYDROCHLORIC ACID; AMINATION OF TRICHLOROBENZENE
Addition of m-dichlorobenzene to ammonia (ring bromination /isomerization/ ammoniation).
U.S. Imports

(1979) 2.00X10+4 G (PRINCIPAL CUSTOMS DISTRICTS)
(1982) 1.38X10+6 G (PRINCIPAL CUSTOMS DISTRICTS)
【Usage】

Chemical intermed for vinclozolin fungicide (eg, for grapes) & iprodione fungicide (eg, for use on turf), chemical intermed for organic synthesis.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
Using hairless rat skin maintained in a Franz diffusion cell, the percutaneous penetration of four aromatic amines: para-chloroaniline, meta-trifluoromethylaniline, dichloro-3,4-aniline and dichloro-3,5-aniline were studied. The purpose of the studies was to determine the permeation parameters (rate of permeation, permeability rat constant) in order to compare the rate of absorption of the four amines. The results show that the four amines penetrate significantly across the skin, but with different rates. 10 h after in vitro application (2 mg/cm sq), the extent of permeation was para-chloroaniline meta-trifluoromethylaniline > dichloro-3,4-aniline > dichloro-3,5-aniline. [Levillain F et al; Arzneimittel-Forschung 48 (9): 948-51 (1998)] PubMed Abstract

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 309(2) indicates that 3,5-dichloroaniline is expected to have moderate mobility in soil(SRC). When released to soil, 3,5-dichloroaniline may undergo covalent chemical bonding with humic materials, which can result in its chemical alteration to a latent form and tight adsorption. When covalently bound in this latent form, leaching in soil systems is not generally expected to occur. This covalent bonding proceeds in two steps; a rapid and reversible bonding followed by a slower and much less reversible reaction(3). Incubation of 3,5-dichloroaniline in covered beakers containing a sandy loam soil for 14 days yielded the azo compound 3,3',5,5'-tetrachloroazobenzene(4). Volatilization of 3,5-dichloroaniline from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.58X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(5). 3,5-Dichloroaniline is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 8.51X10-3 mm Hg(SRC), determined from a fragment constant method(6).
AQUATIC FATE: Based on a classification scheme(1), a Koc value of 309(2) indicates that 3,5-dichloroaniline is expected to adsorb to suspended solids and sediment in water(SRC). 3,5-Dichloroaniline may undergo a covalent chemical bonding with sediment resulting in its chemical alteration to a latent form resulting in stronger adsorption. Using the Closed Bottle screening test, a 0% theoretical BOD(Biological Oxygen Demand) was observed over a 30-day inoculation period using a sewage inoculum(3). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 1.58X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). Volatilization half-lives for a model river and model lake are 30 days and 219 days, respectively(SRC), using an estimation method(4). However, the volatilization half-life does not take into account the effects of adsorption. A Koc value of 309(2) and 3,5-dichloroaniline's ability to undergo covalent chemical bonding with sediment, suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water(SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 621 days in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 321 days in a model pond 2 m deep(6). According to a classification scheme(7), an estimated BCF of 94(4,SRC), from the log Kow(8), suggests the potential for bioconcentration in aquatic organisms is moderate.
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semi-volatile organic compounds in the atmosphere(1), 3,5-dichloroaniline, which has an estimated vapor pressure of 8.51X10-3 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3,5-dichloroaniline is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7 hours(SRC) from its estimated rate constant of 5.33X10-11 atm-cu m/mole(3).

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