1-Cyanocyclohexaneacetic acid

1-Cyanocyclohexaneacetic acid - Names and Identifiers

Name	1-Cyanocyclohexaneacetic acid
Synonyms	Gabapentin USP RC B Gabapentin IMpurity B Gabapentin Related Material B 1-Cyanocyclohexaneacetic acid 1-cyanocyclohexaneacetic acid (1-cyanocyclohexyl)acetic acid Cyclohexaneacetic acid,1-cyano- 2-(1-Cyanocyclohexyl)acetic acid 1-(carboxymethyl)cyclohexanecarboxylic acid GABAPENTIN RELATED COMPOUND B (30 MG) ((1-CYANOCYCLOHEXYL)ACETIC ACID)
CAS	133481-09-1
InChI	InChI=1/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12)

1-Cyanocyclohexaneacetic acid - Physico-chemical Properties

Molecular Formula	C9H13NO2
Molar Mass	167.21
Density	1.13±0.1 g/cm3(Predicted)
Melting Point	98-100°C
Boling Point	356.6±15.0 °C(Predicted)
Flash Point	169.492°C
Vapor Presure	0mmHg at 25°C
Appearance	neat
BRN	11150802
pKa	4.72±0.10(Predicted)
Storage Condition	Sealed in dry,2-8°C
Refractive Index	1.498

1-Cyanocyclohexaneacetic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	22 - Harmful if swallowed
HS Code	2926900005

1-Cyanocyclohexaneacetic acid - Introduction

1-Cyanocyclohexane acetic acid, also known as cyclohexane-l-carbonitrile acetic acid, is an organic compound. The following is a description of its nature, use, preparation and safety information:

Nature:
1-cyanocyclohexane acetic acid is a colorless to pale yellow liquid with a special odor. It is soluble in many organic solvents such as ethanol, acetone and dichloromethane. It has a density of 1.03g/cm³ and a boiling point of about 220°C.

Use:
1-Cyanocyclohexane acetic acid is widely used in the field of organic synthesis. It is an important intermediate in the synthesis of drugs and pesticides. It can be used to prepare various organic compounds, such as amino acids, amides and esters. In addition, it can also be used as a dye and photosensitizing dye synthesis.

Preparation Method:
The preparation of 1-cyanocyclohexane acetic acid is generally achieved by cyanation of cyclohexane. Specifically, cyclohexane and sodium cyanide can be reacted in an appropriate solvent to give cyclohexanyl cyanide. Then, the cyclohexyl cyanide is hydrolyzed with an acid to obtain 1-cyanocyclohexaneacetic acid.

Safety Information:
1-cyanocyclohexane acetic acid needs to pay attention to safety during use. It is an organic compound with a pungent odor that may cause irritation and discomfort on contact with the skin and eyes. Therefore, appropriate protective equipment such as gloves and goggles should be worn during operation. Avoid breathing its vapors and ensure that the operating area is well ventilated. In addition, storage should be sealed, away from fire and oxidizing agents.

Please note that 1-cyanocyclohexane acetic acid can only be used in an appropriate laboratory environment, and relevant regulations and operating procedures need to be followed. Proper use and handling of chemicals is key to ensuring personal safety and laboratory safety.

Last Update：2024-04-09 20:52:54