Welcome to our website!
Deutsche Español français italiano português 日本語 한국어 العربية русский bahasa Indonesia Tiếng Việt

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

Your Location：Home>Product Center >> Acids Compound >> 3-Chlorobenzoic acid
  • 3-Chlorobenzoic acid
Name:3-Chlorobenzoic acid
CAS No:535-80-8

PRODUCT DESCRIPTION

【Name】
3-Chlorobenzoic acid
【CAS Registry number】
535-80-8
【Synonyms】
m-Chlorobenzoic Acid
【EINECS(EC#)】
208-618-4
【Molecular Formula】
C7H5ClO2 (Products with the same molecular formula)
【Molecular Weight】
156.57
【Inchi】
InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
【InChIKey】
LULAYUGMBFYYEX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)Cl)C(=O)O
【MOL File】
535-80-8.mol

Chemical and Physical Properties

【Appearance】
white crystal
【Density】
1.496
【Melting Point】
154-157℃
【Boiling Point】
281.3 °C at 760 mmHg
【Flash Point】
150℃
【Water】
Soluble in water:
【Solubilities】
Soluble in water:<0.1 g/100 mL at 19.5 oC
【Color/Form】
CRYSTALS
PRISMS FROM WATER
【Stability】
Skin, eye and respiratory irritant.
【HS Code】
29163900
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Spectral properties】
SADTLER REF NUMBER: 6617 (IR, PRISM); 8479 (IR, GRATING); 1824 (UV); MAX ABSORPTION (ALCOHOL): 230 NM (LOG E= 3.92); 284 NM (LOG E= 2.98)
IR: 2240 (Coblentz Society Spectral Collection)
NMR: 10952 (Sadtler Research Laboratories Spectral Collection)
MASS: 952 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
【Computed Properties】
Molecular Weight:156.5664 [g/mol]
Molecular Formula:C7H5ClO2
XLogP3:2.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:155.997807
MonoIsotopic Mass:155.997807
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Formal Charge:0
Complexity:136
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 Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【PackingGroup 】
Z01
【Skin, Eye, and Respiratory Irritations】
SKIN IRRITANT. /FROM TABLE/
【Transport】
无资料?
【Protective Equipment and Clothing】
SKIN IRRITANT. /FROM TABLE/

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

... BY CATALYTIC OXIDN OF 1-CHLORO-3-ETHYLBENZENE; BY CHLORINATION OF BENZOIC ACID; BY THE VON RICHTER REACTION FROM 1-CHLORO-4-NITROBENZENE & ALCOHOLIC POTASSIUM CYANIDE.
U.S. Imports

(1978) 1.64X10+6 G (UNSPECIFIED ISOMER)
U.S. Production

(1979) NOT PRODUCED COMMERCIALLY IN USA
(1981) NOT PRODUCED COMMERCIALLY IN USA
【Usage】

Chemical int, eg, for its ester & peroxy derivs.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: If released to soil, m-chlorobenzoic acid is expected to biodegrade under both aerobic and anaerobic conditions although there may be a lengthy lag period before this process ensues(1-4). Its estimated Henry's Law constant, 3.88X10-8 atm-cu m/mol(5,SRC), and its estimated vapor pressure, 8.475X10-5 mm Hg at 25 deg C(5-7,SRC) indicate that it is not expected to volatilize from either moist or dry soil to the atmosphere(SRC). Estimated soil adsorption coefficients of 152 and 684(6-8,SRC) indicate that m-chlorobenzoic acid will display moderate to high mobility in soil(9). The pKa of m-chlorobenzoic acid, 3.81 at 25 deg C(10), indicates that it will be predominately dissociated in moist soil under the typical pH's found in the environment(SRC).
AQUATIC FATE: If released to water, m-chlorobenzoic acid is expected to biodegrade under both aerobic and anaerobic conditions although there may be a lengthy lag period before ths process ensues(1-3). Its estimated Henry's Law constant, 3.88X10-8 atm-cu m/mol(4,SRC), indicate that it is not expected to volatilize from water to the atmosphere(SRC). The half-life for volatilization from a model river 1 m deep, flowing as 1 m/sec with a wind speed of 3 m/sec is 1180 days(5,SRC). Estimated soil adsorption coefficients of 152 and 684(5-7,SRC) indicate that m-chlorobenzoic acid will not adsorb to sediment and suspended organic matter(SRC). The pKa of m-chlorobenzoic acid, 3.81 at 25 deg C(8), indicates that it wil be predominately dissociated in water under the typical pH's found in the environment(SRC).
ATMOSPHERIC FATE: If released to the atmosphere, m-chlorobenzoic acid may undergo a gas-phase reaction with photochemically produced hydroxyl radicals. An estimated rate constant of 4.23X10-13 cu cm/molc-sec(1,SRC) translates to a half-life of 38 days(SRC) for this process using an average atmospheric hydroxyl radical concn of 5X10+5 molc/cu cm(1). The water solubility of m-chlorobenzoic acid, 450 mg/L at 25 deg C(2), indicates that it may also undergo atmospheric removal by wet deposition processes(SRC).

RELATED PRODUCTS

Customer Service Hotline
Tel:+86 519 82111935
Email:info@feifanchem.com
Mobile:+86 15195055733(whats)
Address:No.4 HouYang chemical industrial park.Changzhou,Jiangsu,province,P.R.China.
CopyRight 2022 Extraordinary Pharmatech www.feifanchem.com     

  Send Email

Skype  Skype

3391543003  3391543003

 +86 15195055733

LiveChatclose