5-cyano-2-methylbenzoic acid
[CAS# 1975-54-8]

Identification

• Name: 5-cyano-2-methylbenzoic acid
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• CAS Registry Number: 1975-54-8
• EC Number: 835-549-2
• SMILES: CC1=C(C=C(C=C1)C#N)C(=O)O

Properties

• Solubility: 1500 mg/L (25 ºC water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.579, Calc.^*
• Melting point: 106.38 ºC
• Boiling Point: 326.22 ºC, 345.0±30.0 ºC (760 mmHg), Calc.^*
• Flash Point: 162.4±24.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H332
Skin irritation	Skin Irrit.	2	H315
Acute toxicity	Acute Tox.	4	H302
Specific target organ toxicity - single exposure	STOT SE	3	H335