1,1-Difluoro-4-(iodomethyl)cyclohexane

HCID 67236985CAS 476415-02-8

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Basic information

Standard SMILES: FC1(F)CCC(CI)CC1
InChIKey: BZUZKVFPWWKTLD-UHFFFAOYSA-N
Molecular formula: C7H11F2I
Average molar mass: 260.06 g/mol

Names & identifiers

Preferred name: 1,1-Difluoro-4-(iodomethyl)cyclohexane
IUPAC: 1,1-difluoro-4-(iodomethyl)cyclohexane
English name: 1,1-Difluoro-4-(iodomethyl)cyclohexane
Molecular formula: C7H11F2I
Molecular weight: 260.06

Names & synonyms

1,1-difluoro-4-(iodomethyl)cyclohexane476415-02-8RefChem:409867822-236-0C7H11F2ISCHEMBL1983555BUA41502MFCD267926111,1-difluoro-4-iodomethylcyclohexaneAT22099CS-0529863EN300-1708589

Show more names

Cyclohexane, 1,1-difluoro-4-(iodomethyl)-

F782127A1-31659

Database identifiers

CAS: 476415-02-8
PubChem CID: 67236985
EC Number: 822-236-0

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H227-H318-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H227-H318-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

Uses1,1-Difluoro-4-(iodomethyl)cyclohexane is derived from 4,4-Difluorocyclohexanecarboxylic Acid Ethyl Ester (D445698), which is used as a reactant in the preparation of antiretroviral drug Maraviroc (M193000), which is CCR-5 receptor antagonist used for treatment of HIV.