4-Fluorophenethyl bromide

HCID 573153CAS 332-42-3

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Basic information

Standard SMILES: Fc1ccc(CCBr)cc1
InChIKey: FLRUNCJXOVYWDH-UHFFFAOYSA-N
Molecular formula: C8H8BrF
Average molar mass: 203.05 g/mol
Monoisotopic mass: 201.97934

Names & identifiers

Preferred name: 4-Fluorophenethyl bromide
IUPAC: 1-(2-bromoethyl)-4-fluorobenzene
English name: 1-(2-BROMOETHYL)-4-FLUOROBENZENE
Molecular formula: C8H8BrF
Molecular weight: 203.05

Names & synonyms

4-Fluorophenethyl bromideRefChem:523449629-518-01-(2-Bromoethyl)-4-fluorobenzene332-42-31-Fluoro-4-(2-bromoethyl)benzene2-(4-Fluorophenyl)ethyl bromide1-Bromo-2-(4-fluorophenyl)ethane2-(4-Fluorophenyl)ethylbromide4-FLUOROPHENYLETHYL BROMIDEMFCD038447941-(2-Bromo-ethyl)-4-fluoro-benzene

Show more names

4-Fluorophenethyl bromide,97%4-Fluorophenethyl bromide 97%4-FLUORO-1-(2-BROMOETHYL)BENZENE4-(2-BroMoethyl)-1-fluorobenzene

Benzene, 1-(2-bromoethyl)-4-fluoro-1-(2-bromoethyl)-4-fluoro-benzene4-fluorophenethylbromide4-fluorophenyl ethyl bromideSCHEMBL6244062-bromo-4-fluoro-ethylbenzeneSCHEMBL27572435SCHEMBL27680811

Database identifiers

CAS: 332-42-3
PubChem CID: 573153
DTXSID: DTXSID50341450
EC Number: 629-518-0
Nikkaji: J101.584B

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87

Physicochemical properties

Boiling point: 100 · 100-104 °C15 mm Hg(lit.)
Density: 1.4498 g/mL · 1.4498 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.534(lit.)
Flash point: 200 °F · 200 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid or Low Melting Solid
color: Clear colorless to light yellow or white to pale yellow
InChI: 1S/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey: FLRUNCJXOVYWDH-UHFFFAOYSA-N
SMILES: Fc1ccc(CCBr)cc1
CAS DataBase Reference: 332 · 332-42-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H411
Precautionary statements: 264 · P264-P270-P273-P301+P312-P391-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 · UN 3082 9 / PGIII
WGK Germany: 2 · 2
HazardClass: 9 · 9
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 3082 9 / PGIII
hs_code: 29039990
risk_code: 22-51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 61
hazard_class: 9
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H411
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P273-P301+P312-P391-P501