2-Fluorophenethyl bromide

HCID 2756964CAS 91319-54-9

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccccc1CCBr
InChIKey: FQGDFWIQBCQXPS-UHFFFAOYSA-N
Molecular formula: C8H8BrF
Average molar mass: 203.05 g/mol
Monoisotopic mass: 201.97934058

Names & identifiers

Preferred name: 2-Fluorophenethyl bromide
IUPAC: 1-(2-bromoethyl)-2-fluorobenzene
English name: 2-Fluorophenethyl bromide
Molecular formula: C8H8BrF
Molecular weight: 203.05

Names & synonyms

2-Fluorophenethyl bromide91319-54-9DTXSID00373660RefChem:261118DTXCID00324692627-321-41-(2-bromoethyl)-2-fluorobenzene1-(2-Bromo-ethyl)-2-fluoro-benzeneMFCD041174661-(2-bromoethyl)-2-fluoro-benzene2-fluorophenyl-ethylbromide2-fluorophenyl ethyl bromide

Show more names

2-FLUOROPHENETHYL BR2-Fluorophenethylebromide2-Fluorophenethyl bromide 97%Benzene, 1-(2-bromoethyl)-2-fluoro-2-FLUOROPHENETHYL BROMIDE ISO 9001：2015 REACH

SCHEMBL4593692-Fluorophenethyl bromide, 97%1-(2-Bromo-ethyl)-2-fluorobenzeneAKOS000301913FS-5427SY060877EN300-6751752-(2-bromoethyl)-1-fluorobenzene

Database identifiers

CAS: 91319-54-9
PubChem CID: 2756964
DTXSID: DTXSID00373660
EC Number: 627-321-4

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Boiling point: 73 · 73-75 °C/20 mmHg (lit.)
Density: 1.4458 g/mL · 1.4458 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5340(lit.)
Flash point: 197 °F · 197 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
color: Colorless to yellow
InChI: 1S/C8H8BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey: FQGDFWIQBCQXPS-UHFFFAOYSA-N
SMILES: Fc1ccccc1CCBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N
Risk Statements: 22 · 22-51/53
Safety Statements: 61 · 61
RIDADR: 3082 · UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany: 2 · 2
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
risk_code: 22-51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,N
safety_code: 61
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501