1-Bromo-6-fluorohexane

HCID 9765CAS 373-28-4

Substructure search Find similar structures

Basic information

Standard SMILES: FCCCCCCBr
InChIKey: CNCUKGDUDOASDV-UHFFFAOYSA-N
Molecular formula: C6H12BrF
Average molar mass: 183.06 g/mol
Monoisotopic mass: 182.0106407

Names & identifiers

Preferred name: 1-Bromo-6-fluorohexane
IUPAC: 1-bromo-6-fluorohexane
English name: 1-Bromo-6-fluorohexane
Molecular formula: C6H12BrF
Molecular weight: 183.06

Names & synonyms

1-bromo-6-fluorohexaneRefChem:430706835-947-6373-28-4BRN 1697301HEXANE, 1-BROMO-6-FLUORO-1-bromo-6-fluoro-hexaneMFCD017234706-Fluorohexyl bromideC6H12BrF6-fluoro-1-bromo-hexane4-01-00-00353 (Beilstein Handbook Reference)

Show more names

1-fluoro-6-broMohexane

SCHEMBL985651DTXSID20190750CNCUKGDUDOASDV-UHFFFAOYSA-NAAA37328AKOS006277106AS-56330SY237602B5929

Database identifiers

CAS: 373-28-4
PubChem CID: 9765
DTXSID: DTXSID20190750
EC Number: 835-947-6
Nikkaji: J49.391K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 39.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 68 °C/11 · 68 °C/11 mmHg
Density: 1.293 · 1.2930
refractive index: 1.4436 · 1.4436
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
HS Code: 2903.99 · 2903.99.8001
Toxicity: 50 · mouse,LD50,intraperitoneal,13mg/kg (13mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2903.99.8001
Toxicity: mouse,LD50,intraperitoneal,13mg/kg (13mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235