1129-35-7

Name Methyl 4-cyanobenzoate
CAS 1129-35-7
EINECS(EC#) 214-443-4
Molecular Formula C9H7NO2
MDL Number MFCD00001823
Molecular Weight 161.16
MOL File 1129-35-7.mol
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Chemical Properties

Melting point  65-67 °C(lit.)
Boiling point  142-144 °C12 mm Hg(lit.)
density  1.2480 (rough estimate)
refractive index  1.5050 (estimate)
Fp  142-144°C/12mm
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Ethyl Acetate
form  Crystalline Powder
color  White to off-white
Water Solubility  Insoluble in water. Soluble in chloroform and ethyl acetate.
BRN  1866980
InChI 1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey KKZMIDYKRKGJHG-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(cc1)C#N
CAS DataBase Reference 1129-35-7(CAS DataBase Reference)
NIST Chemistry Reference 4-Cyanobenzoic acid methyl ester(1129-35-7)
EPA Substance Registry System 1129-35-7(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H302+H312+H332-H301-H311-H315-H319-H332-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501-P301+P310a-P305+P351+P338-P405-P501a
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
RIDADR  3439
WGK Germany  3
Hazard Note  Harmful
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids

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Hazard Information

Material Safety Data Sheet(MSDS)

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