Overview

IDCS-8CD1AC487D20
CAS RN5689-33-8
Synonyms 3-(cyanomethyl)benzoic acid
5689-33-8
Benzoic acid, 3-(cyanomethyl)-
3-Carboxyphenylacetonitrile
m-(Cyanomethyl)benzoic acid
Ketoprofen impurity H [EP]
m-Toluic acid, alpha-cyano-
UNII-J7V17Q435V
J7V17Q435V
DTXSID00205412 More…

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Identification

Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
CAS Number5689-33-8
IUPAC Name

3-(cyanomethyl)benzoic acid

C1=CC(=CC(=C1)C(=O)O)CC#N
InChI=1S/C9H7NO2/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H,11,12)

DATIHVJZEPOWPT-UHFFFAOYSA-N

Safety & Regulations

⚠ Warning Handle according to recommended safety guidelines.
  • DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
  • WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
  • DangerH311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
  • WarningH312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
  • WarningH319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • DangerH331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
  • WarningH332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • WarningH335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Storage Conditions

Store at ambient temperature and humidity (2–8 °C).

View Literature on PubChem
3-(Cyanomethyl)benzoic acid

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