CAS 2069-41-2 (4-Bromophenyl)(4-fluorophenyl)methanone (HCID 74951)

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Basic information

CAS: 2069-41-2
Standard SMILES: O=C(c1ccc(F)cc1)c1ccc(Br)cc1
InChIKey: SSXSFTBOKUQUAX-UHFFFAOYSA-N
Molecular formula: C13H8BrFO
Average molar mass: 279.1 g/mol
Monoisotopic mass: 277.9742552

Names & identifiers

Preferred name: (4-Bromophenyl)(4-fluorophenyl)methanone
IUPAC: (4-bromophenyl)-(4-fluorophenyl)methanone
English name: 4-bromo-4'-fluorobenzophenone
Molecular formula: C13H8BrFO
Molecular weight: 279.1

Names & synonyms

4-Bromo-4'-fluorobenzophenone2069-41-2(4-bromophenyl)(4-fluorophenyl)methanoneDTXSID00174750RefChem:1050395DTXCID0097241218-193-7(4-bromophenyl)-(4-fluorophenyl)methanoneC13H8BrFOMethanone, (4-bromophenyl)(4-fluorophenyl)-MFCD00672035EINECS 218-193-7

Show more names

-fluorobenzophenone4-Bromo-4'-fluorobenzophenone 97%4-Bromo-4'-fluorobenzophenone 97%(4-bromophenyl) (4-fluorophenyl) ketone(4-bromophenyl)(4-fluorophenyl)methylone

4-Fluoro-4'-bromobenzophenoneFS-4801CS-02062161-(4-Bromophenyl)-1-(4-fluorophenyl)methanone(4-broA18434SCHEMBL28921404- bromo-4'-fluorobenzophenone

Database identifiers

CAS: 2069-41-2
PubChem CID: 74951
DTXSID: DTXSID00174750
EC Number: 218-193-7
Nikkaji: J298.682E

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 107 · 107-108 °C
Boiling point: 353.4 · 353.4±22.0 °C(Predicted)
Density: 1.485 · 1.485±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C13H8BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey: SSXSFTBOKUQUAX-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(C1=CC=C(F)C=C1)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2914790090 · 2914790090

Safety & regulation

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501