2-Bromo-1-chloro-4-fluorobenzene

HCID 2773263

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Basic information

CAS: 201849-15-2
Standard SMILES: Fc1ccc(Cl)c(Br)c1
InChIKey: FOCCSIJMXBTKHD-UHFFFAOYSA-N
Molecular formula: C6H3BrClF
Average molar mass: 209.44 g/mol
Monoisotopic mass: 207.9090681

Names & identifiers

Preferred name: 2-Bromo-1-chloro-4-fluorobenzene
IUPAC: 2-bromo-1-chloro-4-fluorobenzene
English name: 2-Bromo-1-chloro-4-fluorobenzene
Molecular formula: C6H3BrClF
Molecular weight: 209.44

Names & synonyms

2-Bromo-1-chloro-4-fluorobenzene201849-15-2DTXSID60378318RefChem:85620DTXCID60329345606-454-11-bromo-2-chloro-5-fluorobenzene2-chloro-5-fluorobromobenzeneBenzene, 2-bromo-1-chloro-4-fluoro-MFCD000611202-bromo-1-chloro-4-fluoro-benzeneSCHEMBL505116

Show more names

3-BROMO-4-CHLOROFLUOROBENZENE1-BROMO-3-FLUORO-4-CHLOROBENZENE2-Chloro-5-fluorobromobenzene 99%2-Bromo-1-chloro-4-fluorobenzene99%2-Bromo-1-chloro-4-fluorobenzene >2-Bromo-1-chloro-4-fluorobenzene, 98+%

AKOS015835291CS-W002281AC-2305DS-12652B3048EN300-99258AM61389FT-0643885

Database identifiers

CAS: 201849-15-2
PubChem CID: 2773263
DTXSID: DTXSID60378318
EC Number: 606-454-1
Nikkaji: J3.313.886E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Boiling point: 202.1 · 202.1±20.0 °C(Predicted)
Density: 1.75 · 1.75
refractive index: 1.553 · 1.5530
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
InChI: InChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKey: FOCCSIJMXBTKHD-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(F)C=C1Br
CAS DataBase Reference: 201849 · 201849-15-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39-37-23
RIDADR: Intermediate in organic syntheses
HazardClass: IRRITANT
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (12.5%)

Safety data

ridadr: Intermediate in organic syntheses
hs_code: 29039990
risk_code: 36/37/38-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37-23
hazard_class: IRRITANT
Hazard statements: H227-H315-H319-H335
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Description2-Bromo-1-chloro-4-fluorobenzene is an important aromatic halide that serves as a crucial intermediate in the synthesis of various organic compounds.