1-Bromo-3-chloro-5-fluorobenzene

HCID 2736223

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Basic information

CAS: 33863-76-2
Standard SMILES: Fc1cc(Cl)cc(Br)c1
InChIKey: GGMDFPMASIXEIR-UHFFFAOYSA-N
Molecular formula: C6H3BrClF
Average molar mass: 209.44 g/mol
Monoisotopic mass: 207.9090681

Names & identifiers

Preferred name: 1-Bromo-3-chloro-5-fluorobenzene
IUPAC: 1-bromo-3-chloro-5-fluorobenzene
English name: 1-Bromo-3-chloro-5-fluorobenzene
Molecular formula: C6H3BrClF
Molecular weight: 209.44

Names & synonyms

1-BROMO-3-CHLORO-5-FLUOROBENZENE33863-76-2DTXSID10371213RefChem:228494DTXCID30322247642-866-83-chloro-5-fluorobromobenzeneMFCD000707471-bromo-3-chloro-5-fluoro-benzeneBenzene, 1-bromo-3-chloro-5-fluoro-2-bromo-4-chloro-6-fluorobenzeneSCHEMBL149391

Show more names

3-Fluoro-5-bromochlorobenzeneBromo-3-chloro-5-fluorobenzene3-BROMO-5-CHLORO-1-FLUOROBENZENE3-Chloro-5-fluorobromobenzene 98%1-Bromo-3-chloro-5-fluorobenzene98%1-Bromo-3-chloro-5-fluorobenzene >1-bromo-3-chloro-5-fluorobenzaldehyde

SCHEMBL2641053-chloro-5-fluoro-bromobenzeneSCHEMBL1401619SCHEMBL26613872SCHEMBL296021461-bromo-3-chloro-5-flurobenzeneGGMDFPMASIXEIR-UHFFFAOYSA-N1-fluoro-3-chloro-5-bromobenzene

Database identifiers

CAS: 33863-76-2
PubChem CID: 2736223
DTXSID: DTXSID10371213
EC Number: 642-866-8
Nikkaji: J905.530D

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: 72 °C/5mmHg · 72°C/5mmHg
Density: 1.72 · 1.72
refractive index: 1.547 · 1.547
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
BRN: 2432912 · 2432912
CAS DataBase Reference: 33863 · 33863-76-2(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
HazardClass: IRRITANT
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 4 (80.9%)

Safety data

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
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

Uses1-Bromo-3-chloro-5-fluorobenzene, also known as 3-bromo-5-chlorofluorobenzene, is an aryl halide intermediate that can be used as a substrate for metal coupling reactions such as Suzuki reaction.