2-Oxocyclohexanecarbonitrile
[CAS# 4513-77-3]

Identification

• Name: 2-Oxocyclohexanecarbonitrile
• Synonyms: 2-Cyanocyclohexanone; 2-Oxocyclohexane-1-carbonitrile; NSC 2841; alpha-Cyanocyclohexanone
• Molecular Formula: C₇H₉NO
• Molecular Weight: 123.15
• CAS Registry Number: 4513-77-3
• EC Number: 674-351-9

Properties

• Density: 1.05±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 125-130 ºC^**
• Boiling point: 150-160 ºC (15 Torr)^***
• Refractive index: 1.4848 (589.3 nm 20 ºC)^****
• Flash point: 117.6±25.4 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2015 ACD/Labs)

^** Tamura, Yasumitsu; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1980, (5), P1132-5.

^*** FR 759436 1934.

^**** Martin, Dieter; Chemische Berichte 1965, V98(11), P3662-71.

Safety Data

Hazard Classification

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