4-Bromo-2-fluoro-1,1'-biphenyl

HCID 521063

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Basic information

CAS: 41604-19-7
Standard SMILES: Fc1cc(Br)ccc1-c1ccccc1
InChIKey: HTRNHWBOBYFTQF-UHFFFAOYSA-N
Molecular formula: C12H8BrF
Average molar mass: 251.09 g/mol
Monoisotopic mass: 249.97934058

Names & identifiers

Preferred name: 4-Bromo-2-fluoro-1,1'-biphenyl
IUPAC: 4-bromo-2-fluoro-1-phenylbenzene
English name: 4-Bromo-2-fluorobiphenyl
Molecular formula: C12H8BrF
Molecular weight: 251.09

Names & synonyms

41604-19-74-Bromo-2-fluoro-1,1'-biphenylEINECS 255-453-9DTXSID00194433RefChem:519657DTXCID10116924255-453-94-Bromo-2-fluorobiphenyl4-bromo-2-fluoro-1-phenylbenzene1,1'-Biphenyl, 4-bromo-2-fluoro-MFCD000517162-fluoro-4-bromobiphenyl

Show more names

BFBPC12HgBrFcas no.:41604-19-7Bromo-2-fluorobiphenylFlurbiprofen impurityⅠFlurbiprofen impurityⅠFlurbiprofen Impurity 94-BROMO-2-FLUORODIPHENYL

4'-Bromo-2'-fluorobiphenyl4-Bromo-2-Fluoro-1,1-Biphenyl2-Fluoro-4-bromobiphenyl; 4-Bromo-2-fluorobiphenyl; 4'-Bromo-2'-fluorobiphenyl;4-bromo-2-fluoro-1-phenyl-benzeneFlurbiprofen impurity centn4-bromo-2-fluoro-biphenylSCHEMBL456919SCHEMBL538592

Database identifiers

CAS: 41604-19-7
PubChem CID: 521063
DTXSID: DTXSID00194433
EC Number: 255-453-9
Nikkaji: J320.104J

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 177

Physicochemical properties

Melting point: 39 · 39-41 °C(lit.)
Boiling point: 175 °C · 175°C 2mm
Density: 1.4 · 1.40
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in DMSO, Methanol
form: Crystalline Powder or Chunks
color: Off-white to pale yellow
Water Solubility: insoluble
BRN: 2208913 · 2208913
InChI: InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKey: HTRNHWBOBYFTQF-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(Br)C=C1F
CAS DataBase Reference: 41604 · 41604-19-7(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Bromo-2-fluorobiphenyl(41604-19-7)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H410
Precautionary statements: 264 · P264-P270-P273-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn,N
Risk Statements: 22 · 22-36/37/38-20/21/22-50/53-36/38
Safety Statements: 36 · 36/37/39-36-26-61-60
RIDADR: 3152 · UN 3152 9/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 9 · 9
PackingGroup: II
HS Code: 29036990 · 29036990
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.