1-Phenyl-4-oxocyclohexanecarbonitrile

1-Phenyl-4-oxocyclohexanecarbonitrile - Names and Identifiers

Name	4-Cyano-4-phenylcyclohexanone
Synonyms	TIMTEC-BB SBB008596 4-Cyano-4-phenylcyclohexanone 4-CYANO-4-PHENYLCYCLOHEXANONE 4-oxo-1-phenylcyclohexanenitrile 4-oxo-1-phenylcyclohexanecarbonitrile 1-Phenyl-4-oxocyclohexanecarbonitrile 4-Oxo-1-phenylcyclohexanecarbonitrile 1-Phenyl-4-oxo-1-cyclohexanecarbonitrile
CAS	25115-74-6
EINECS	246-631-7
InChI	InChI=1/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2

1-Phenyl-4-oxocyclohexanecarbonitrile - Physico-chemical Properties

Molecular Formula	C13H13NO
Molar Mass	199.25
Density	1.0671 (rough estimate)
Melting Point	114-119 °C
Boling Point	336.78°C (rough estimate)
Flash Point	182.8°C
Vapor Presure	6.22E-06mmHg at 25°C
Appearance	Crystalline Solid
Color	White to beige
BRN	2645593
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.5500 (estimate)
MDL	MFCD00044816

1-Phenyl-4-oxocyclohexanecarbonitrile - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	UN3439
HS Code	29143990
Hazard Class	6.1
Packing Group	III

1-Phenyl-4-oxocyclohexanecarbonitrile - Introduction

It is an organic compound with a chemical formula of C13H11NO and a molecular weight of 197.23g/mol.

Properties: Colorless to light yellow crystals, soluble in organic solvents such as ether, benzene and chloroform, insoluble in water. It has a strong aromatic smell.

Uses: It is an important intermediate in organic synthesis and can be used to synthesize other organic compounds, such as drugs and pesticides. It is also used as an additive in the electrolyte of lithium metal batteries to improve electrochemical performance.

preparation method: it can be generated by the reaction of benzoyl chloride and cyclohexanone under alkaline conditions. The specific preparation method may include heating the reactants at a certain temperature for reaction, solvent-assisted reaction, etc.

Safety information: It is relatively safe for humans and the environment under normal conditions of use. However, it may cause irritation to the eyes, respiratory system and skin, so you should pay attention to protective measures during use, including wearing protective glasses, respirators and gloves to avoid direct contact. At the same time, it should avoid contact with oxidants and strong acids/bases to avoid chemical reactions. When storing, keep the container tightly sealed, store in a cool and dry place, and away from fire and heat sources.

Last Update：2024-04-09 21:11:58