2-Chlorocyclohexanone (HCID 13203)

Overview

structure given in first source

Names & identifiers

Preferred name: 2-Chlorocyclohexanone
IUPAC: 2-chlorocyclohexan-1-one
English name: 2-Chlorocyclohexanone
Molecular formula: C6H9ClO
Molecular weight: 132.59

Names & synonyms

2-Chlorocyclohexanone822-87-7CYCLOHEXANONE, 2-CHLORO-alpha-ChlorocyclohexanoneDTXSID10215301134E5H2KVNSC-12439DTXCID001530RefChem:86468212-505-52-chlorocyclohexan-1-oneMFCD00001626

Show more names

UNII:1134E5H2KV2-chloro-cyclohexanon2-Chlorocyclohexanone 2-Chlorocyclohexanone, 98%+

2-Chlorocyclohexonone.alpha.-ChlorocyclohexanoneEINECS 212-505-5NSC 12439UNII-1134E5H2KV2-chloro-cyclohexanone2-chloro-1-cyclohexanonechlorocyclohexanone

Database identifiers

CAS: 822-87-7
PubChem CID: 13203
DTXSID: DTXSID1021530
ChEMBL: CHEMBL3183260
UNII: 1134E5H2KV
EC Number: 212-505-5
Nikkaji: J1.738H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 23 °C · 23 °C (lit.)
Boiling point: 82 · 82-83 °C/10 mmHg (lit.)
Density: 1.161 g/mL · 1.161 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.484(lit.)
Flash point: 180 °F · 180 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: colorless to very deep brown
Water Solubility: Insoluble in water.
BRN: 774100 · 774100
InChI: 1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKey: CCHNWURRBFGQCD-UHFFFAOYSA-N
SMILES: ClC1CCCCC1=O
CAS DataBase Reference: 822 · 822-87-7(CAS DataBase Reference)
FDA UNII: 1134 E5H2KV · 1134E5H2KV
NIST Chemistry Reference: 2 · Cyclohexanone, 2-chloro-(822-87-7)
EPA Substance Registry System: 2 · Cyclohexanone, 2-chloro- (822-87-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319-H335
Precautionary statements: 280 · P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-43
Safety Statements: 26 · 26-36/37-37/39-36
RIDADR: 3335 · UN 3335
WGK Germany: 3 · 3
RTECS: 1225000 · GW1225000
F: 10 · 10-19
TSCA: TSCA listed
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Cyclohexanone, 2-chloro-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-19
PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: GW1225000
ridadr: UN 3335
hs_code: 29147000
risk_code: 36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37-37/39-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H317-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanone, 2-chloro-: ACTIVE

Applications

Uses2-Chlorocyclohexanone, is an intermediate in the synthesis of variety of pharmaceutical compounds. It is also an intermediate in the synthesis of 1-Chloro-2-methylenecyclohexane .