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Your Location：Home>Product Center >> Pharmaceutical intermediates >> 4-Aminophenol
  • 4-Aminophenol
Name:4-Aminophenol
CAS No:123-30-8

PRODUCT DESCRIPTION

【Name】
4-Aminophenol
【CAS Registry number】
123-30-8
【Synonyms】
4-Hydroxyaniline
P-Aminophenol
P-Amino phenol
4-Amino-1-hydroxybenzene
para aminophenol
Para-aminophenol
1-amino-4-hydroxybenzene 4-Amino phenol
【EINECS(EC#)】
204-616-2
【Molecular Formula】
C6H7NO (Products with the same molecular formula)
【Molecular Weight】
109.13
【Inchi】
InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
【InChIKey】
PLIKAWJENQZMHA-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1N)O
【MOL File】
123-30-8.mol

Chemical and Physical Properties

【Appearance】
Off white granular powder
【Density】
1.21g/cm3
【Melting Point】
188℃
【Boiling Point】
284℃
【Vapour】
0.00202mmHg at 25°C
【Refractive Index】
1.5764 (20 C)
【Flash Point】
189℃
【Water】
1.5 g/100 mL (20℃)
【Solubilities】
Water solubility: 1.5 g/100 mL (20 °C)
【Color/Form】
Orthorhombic plates from water
White plates from water
Colorless crystals
White or reddish yellow crystals
【Stability】
Stable, though may discolour in air. Incompatible with acids, chloroformates, strong oxidizing agents.
【HS Code】
28402090
【Storage temp】
Refrigerator
【Spectral properties】
MAX ABSORPTION (WATER): 229 NM (LOG E= 3.78); 294 NM (LOG E= 3.30)
SADTLER REFERENCE NUMBER: 158 (IR, GRATING)
IR: 712 (Sadtler Research Laboratories Prism Collection)
UV: 236 (Sadtler Research Laboratories Spectral Collection)
NMR: 717 (Sadtler Research Laboratories Spectral Collection)
MASS: 46 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
Intense mass spectral peaks: 52 m/z, 80 m/z, 109 m/z
【Computed Properties】
Molecular Weight:109.12588 [g/mol]
Molecular Formula:C6H7NO
XLogP3:0
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:4
Exact Mass:109.052764
MonoIsotopic Mass:109.052764
Topological Polar Surface Area:46.2
Heavy Atom Count:8
Formal Charge:0
Complexity:66.9
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:2
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】
Xn:Harmful
【Risk Statements】
R20/22;R50/53;R68
【Safety Statements 】
S28;S36/37;S60;S61
【HazardClass】
6.1
【Safety】

Hazard Codes:?? Xn,?? N 
The Risk Statements information of??4-aminophenol : 
40:? Limited evidence of a carcinogenic effect? 
68:? Possible risk of irreversible effects? 
20/22:? Harmful by inhalation and if swallowed? 
50/53:? Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment? 
The Safety Statements information of? 4-aminophenol: 
28:? After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)? 
60:? This material and/or its container must be disposed of as hazardous waste? 
61:? Avoid release to the environment. Refer to special instructions safety data sheet? 
36/37:? Wear suitable protective clothing and gloves? 
RIDADR:UN 2512 6.1/PG 3
WGK Germany:3

【PackingGroup 】
III
【Skin, Eye, and Respiratory Irritations】
An allergen and skin and eye irritant.
【Transport】
UN 2512
【Fire Fighting Procedures】
If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminophenols/
【Formulations/Preparations】
Grades: technical; photographic
【DOT Emergency Guidelines】
/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. 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. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (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. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (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. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (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. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Water spray, fog or regular foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Use water spray; do not use straight streams. 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. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (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. Cover with plastic sheet to prevent spreading . Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Aminophenols/
/GUIDE 152: SUBSTANCES - TOXIC (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. /Aminophenols/
【Other Preventative Measures】
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. /Aminophenols/
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. /Aminophenols/
【Protective Equipment and Clothing】
An allergen and skin and eye irritant.
【Specification】

?4-Aminophenol , its cas register number is 123-30-8. It also can be called 4-Amino-1-hydroxybenzene ; 4-Hydroxyaniline ; and 1-Amino-4-hydroxybenzene . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin:?Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes:?Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product:?Get medical aid. Wash mouth out with water. Notes to physician: Treat supportively and symptomatically.
In addition, 4-Aminophenol (CAS NO.123-30-8)?may discolor on exposure to air and light.. It is not compatible with strong oxidizing agents, acids, bases, acid chlorides, acid anhydrides, chloroformates, and you must not take it with incompatible materials, light, exposure to a. And also prevent it to broken down into hazardous decomposition products:?Nitrogen oxides, carbon monoxide, carbon dioxide.

【Octanol/Water Partition Coefficient】
log Kow= 0.04 @ pH 7.4
【Report】

Related aminophenols? 2-Aminophenol 3-Aminophenol 
Related compounds???? Aniline Phenol

【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

REDUCTION OF NITROBENZENE WITH IRON FILINGS IN ACID OR BY CATALYTIC HYDROGENATION
Usually prepd by the reduction of p-nitrophenol: BIOS Final Report 986; Freifelder, Robinson, U.S. pat. 3,079,435 (1963 to Abbott)
(A) by redn of para-nitrophenol with iron filings and hydrochloric acid. (B) by electrolytic redn of nitrobenzene in concn sulfuric acid and treatment with alkali to free base.
U.S. Imports

(1972) 2.61X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1975) 1.27X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production

(1972) GREATER THAN 4.54X10+6 GRAMS
(1975) GREATER THAN 9.08X10+5 GRAMS
Production figures for the aminophenols are scarce, the compounds usually being classified along with many other aniline derivatives. Most production of the technical grade materials (95% purity) occurs on-site as they are chiefly used as intermediate reactants in continuous chemical syntheses. World production of the fine chemicals (99% purity) is probably no more than a few hundred metric tons yearly... /Aminophenols/
【Usage】

Dyeing textiles, hair, furs, feathers, photographic developer, pharmaceuticals, antioxidants, oil additives.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
【Biomedical Effects and Toxicity】
STUDIES OF EXCRETION OF P-NITROPHENOL & P-AMINOPHENOL IN URINE OF WORKERS IN PRODUCTION OF NITROBENZENE.
PARAAMINOPHENOL CONTENT IN URINE AS CRITERIA OF EXPOSURE TO /PARAAMINOPHENOL/ OF WORKERS HANDLING ANILINE & ITS DERIV. LEVEL INCR NOT ONLY @ END OF EACH SHIFT BUT ALSO @ END OF EACH WK.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a log Kow of 0.04(2) and a regression-derived equation(3), indicates that 4-aminophenol is expected to have very high mobility in soil(SRC). However, anilines (aromatic amines) are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC). pKa values of 5.48(6) and 10.46(7) indicate 4-aminophenol will exist almost entirely as the natural species at pH values of 5 to 9. Volatilization of 4-aminophenol from moist soil surfaces is not expected to be an important fate process for the neutral species(SRC) given an estimated Henry's Law constant of 1.7X10-9 atm-cu m/mole(SRC), derived from 4-aminophenol's extrapolated vapor pressure, 4X10-5 mm Hg(8) and water solubility, 16,000 mg/l(9). 4-Aminophenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(5). No data were located on the aerobic or anaerobic biodegradation of 4-aminophenol in soil; based on several aerobic screening studies using various inocula, this compound appears to be biodegradable under most aerobic study circumstances(10-13). Under denitrifying and methanogenic conditions in sediment, 4-aminophenol was mineralized following a long lag phase at a rate of 15.7 and 20 umol/l/day, respectively(14).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a log Kow of 0.04(2) and a regression-derived equation(3), indicates that 4-aminophenol is not expected to adsorb to suspended solids and sediment(SRC). However, anilines (aromatic amines) are expected to bind strongly to humus or organic matter due to the high reactivity of the aromatic amino group(4,5), suggesting that adsorption may be much greater than predicted(SRC). pKa values of 5.48(6) and 10.46(7) indicate 4-aminophenol will exist almost entirely as the neutral species at pH values of 5 to 9. Volatilization of the neutral species from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.7X10-9 atm-cu m/mole(SRC), derived from 4-aminophenol's vapor pressure, 4X10-5 mm Hg(8) and water solubility, 16,000 mg/l(9). Volatilization from water surfaces of the ionized species is not expected to be an important fate process(SRC). According to a classification scheme(10), an estimated BCF of 1(SRC), from its log Kow(2)and a regression-derived equation(11), suggests the potential for bioconcentration in aquatic organisms is low. No data were located on the aerobic biodegradation of 4-aminophenol in water; based on several aerobic screening studies using various inocula, this compound appears to be biodegradable under most study circumstances(12-15). Under denitrifying and methanogenic conditions in sediment, 4-aminophenol was mineralized following a long lag phase at a rate of 15.7 and 20 umol/l/day, respectively(16).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-aminophenol, which has a vapor pressure of 4X10-5 mm Hg at 25 deg C(2) will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 4-aminophenol 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 5 hours(SRC), calculated from its rate constant of 7.4X10-11 cu cm/molecule-sec at 25 deg C(SRC), determined using a structure estimation method(3). Particulate-phase 4-aminophenol may be removed from the air by wet and dry deposition(SRC). 4-Aminophenol may directly photolyze due to its absorption in the environmental UV spectrum (max= 294 nm)(4).

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