1-Cyanocyclohexaneacetic acid

Chemical Properties

Melting point	98-100°C
Boiling point	356.6±15.0 °C(Predicted)
Density	1.13±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,2-8°C
solubility	Chloroform (Slightly), Methanol (Slightly)
form	powder
pka	4.72±0.10(Predicted)
BRN	11150802
Major Application	pharmaceutical
InChI	1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12)
InChIKey	YGFXLCAKCKPSQQ-UHFFFAOYSA-N
SMILES	OC(=O)CC1(CCCCC1)C#N

Hazard Codes	Xi
Risk Statements	22
WGK Germany	WGK 3
HS Code	2926900005
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 3

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