CAS 393-37-3 5-Bromo-2-fluorobenzotrifluoride (HCID 2736325)

Names & identifiers

Preferred name: 5-Bromo-2-fluorobenzotrifluoride
IUPAC: 4-bromo-1-fluoro-2-(trifluoromethyl)benzene
English name: 2-Fluoro-5-bromobenzotrifluoride
Molecular formula: C7H3BrF4
Molecular weight: 243

Names & synonyms

5-Bromo-2-fluorobenzotrifluoride393-37-3DTXSID10371278RefChem:533219DTXCID20322312642-871-54-bromo-1-fluoro-2-(trifluoromethyl)benzene2-fluoro-5-bromobenzotrifluorideMFCD000424931-BROMO-4-FLUORO-3-(TRIFLUOROMETHYL)BENZENESCHEMBL6900734-Fluoro-3-trifluoromethylbromobenzene

Show more names

4-FLUOR5-BROMO-2-FLUORO-5-Bromo-2-Fluorobenzotrifluori5-Bromo-2-florobenzotrifluoride5-Bromo-2-fluorobenzotrifluoride97%5-Bromo-2-fluorobenzotrifluoride 97%5-Bromo-2-fluorobenzotrifluoride >

AKOS005258449AC-41172-fluoro-5-bromo benzotrifluoride5-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene5-bromo-2-fluoro-(trifluoromethyl)benzeneBenzene, 4-bromo-1-fluoro-2-(trifluoromethyl)-5-Bromo-alpha,alphaSCHEMBL29890371

Database identifiers

CAS: 393-37-3
PubChem CID: 2736325
DTXSID: DTXSID10371278
EC Number: 642-871-5
Nikkaji: J2.649.524E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 203 °C · 203 °C(Solv: hexane (110-54-3))
Boiling point: 79 · 79-80 °C/50 mmHg (lit.)
Density: 1.72 g/mL · 1.72 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.462(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.72 · 1.720
color: Clear colorless to pale yellow
Water Solubility: 700 g/L · Soluble in water 700 g/L (20°C)
BRN: 2643550 · 2643550
InChI: InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey: AJLIJYGWAXPEOK-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(Br)C=C1C(F)(F)F
CAS DataBase Reference: 393 · 393-37-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 23 · 23-24/25-36-26-37
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29039990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 23-24/25-36-26-37
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 3 items

UsesPharmaceutical Intermediates.

Uses5-Bromo-2-fluorobenzotrifluoride may be used in the preparation of:3,5-bis(4-fluoro-3-trifluoromethylphenyl)phenol9,9-bis(2-ethylhexyl)-2,7-bis[4-fluoro-3-trifluoromethylphenyl]-9H-fluorene3-trifluoromethyl-4-fluoro phenyl boronic acid

General Description5-Bromo-2-fluorobenzotrifluoride is commonly used in the preparation poly(arylene ether)s (PAEs).