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Methyl 3-cyanobenzoate

Methyl 3-cyanobenzoate Structure
  • ₹0
  • Product name: Methyl 3-cyanobenzoate
  • CAS: 13531-48-1
  • MF: C9H7NO2
  • MW: 161.16
  • EINECS:620-003-6
  • MDL Number:MFCD00220156
  • Synonyms:RARECHEM AL BF 0051;3-Cyanobenzok Acid Methyl Ester;Mehyl3-Cyanobenzaldehyde;Methyl m-cyanobenzoate;3-(Methoxycarbonyl)benzonitrile;Methyl 3-cyanobenzoate, 95+%;3-CN-C6H4-COOCH3;3-cyano-benzoicacimethylester
Manufacturer Product number Product description Packaging Price Updated Buy

Properties

Melting point :58 °C
Boiling point :267.2±23.0 °C(Predicted)
Density :1.18±0.1 g/cm3(Predicted)
storage temp. :Sealed in dry,Room Temperature
solubility :Chloroform (Slightly), Methanol (Slightly)
form :Solid
color :White to Off-White
LogP :1.82
CAS DataBase Reference :13531-48-1(CAS DataBase Reference)
NIST Chemistry Reference :3-CN-C6H4-COOCH3(13531-48-1)
EPA Substance Registry System :Benzoic acid, 3-cyano-, methyl ester (13531-48-1)

Safety Information

Symbol(GHS): GHS hazard pictograms
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H332 Harmful if inhaled Acute toxicity,inhalation Category 4 Warning GHS hazard pictograms P261, P271, P304+P340, P312
H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning GHS hazard pictograms
Precautionary statements:
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Description

3-Cyanobenzoic Acid Methyl Ester, is an intermediate for the synthesis of 3-Carbamoylbenzoic Acid Derivatives as Inhibitors of Human Apurinic/Apyrimidinic Endonuclease 1 (APE1). It can also be used for the preparation of 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid Sodium Salt (F596070).

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