108-42-9

Name 3-Chloroaniline
CAS 108-42-9
EINECS(EC#) 203-581-0
Molecular Formula C6H6ClN
MDL Number MFCD00007765
Molecular Weight 127.57
MOL File 108-42-9.mol
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Chemical Properties

Appearance clear pale yellow to brown liquid
Melting point  −11-−9 °C(lit.)
Boiling point  95-96 °C11 mm Hg(lit.)
density  1.206 g/mL at 25 °C(lit.)
vapor pressure  1 mm Hg ( 63.5 °C)
refractive index  n20/D 1.594(lit.)
Fp  255 °F
storage temp.  Store below +30°C.
solubility  6.2g/l
form  Liquid
pka 3.46(at 25℃)
color  Clear pale yellow to brown
Odor Characteristic odour
PH 7.3 (H2O)(saturated aqueous solution)
Water Solubility  6.8 g/L (20 ºC)
Specific Heat Capacity Cp(liquid):198.7J/(g·K),at 25℃
Decomposition  190°C
Merck  14,2118
BRN  605969
Henry's Law Constant 4.7×100 mol/(m3Pa) at 25℃, Chao et al. (2017)
Dielectric constant 13.4（19℃）
Stability: Material darkens in storage with no loss in purity, Material Darkens In Storage
InChI 1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey PNPCRKVUWYDDST-UHFFFAOYSA-N
SMILES Nc1cccc(Cl)c1
LogP 0.77-2.03 at 25-30℃
CAS DataBase Reference 108-42-9(CAS DataBase Reference)
NIST Chemistry Reference m-Chloroaniline(108-42-9)
EPA Substance Registry System 108-42-9(EPA Substance)
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Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H301+H311-H317-H319-H330-H373-H410
Precautionary statements  P273-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338-P314
Hazard Codes  T,N
Risk Statements 
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 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2019 6.1/PG 2
WGK Germany  2
RTECS  BX0350000
F  8-10-23
Autoignition Temperature 705 °C
Hazard Note  Toxic
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  II
HS Code  29214210
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Sens. 1B
STOT RE 2 Oral
Safety Profile
Poison by ingestion, skin contact, subcutaneous, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cland NOx. See also ANILINE DYES.
Hazardous Substances Data 108-42-9(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 256 mg/kg LD50 dermal Rat 250 mg/kg

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