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Basic Information
CAS No.: 31431-16-0
Name: 3-NITRO-4-CHLORO-4'-FLUOROBENZOPHENONE
Article Data: 3
Molecular Structure:
Molecular Structure of 31431-16-0 (3-NITRO-4-CHLORO-4'-FLUOROBENZOPHENONE)
Formula: C13H7ClFNO3
Molecular Weight: 279.655
Synonyms: Benzophenone,4-chloro-4'-fluoro-3-nitro- (8CI);
EINECS: 250-629-1
Density: 1.43 g/cm3
Boiling Point: 419.2 °C at 760 mmHg
Flash Point: 207.3 °C
Hazard Symbols: IrritantXi
PSA: 62.89000
LogP: 4.14150
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Chemistry

Molecule structure of 4-Chloro-4'-fluoro-3-nitrobenzophenone (CAS NO.31431-16-0):

IUPAC Name: (4-Chloro-3-nitrophenyl)-(4-fluorophenyl)methanone 
Molecular Weight: 279.650983 g/mol
Molecular Formula: C13H7ClFNO3 
Density: 1.43 g/cm3 
Boiling Point: 419.2 °C at 760 mmHg 
Flash Point: 207.3 °C
Index of Refraction: 1.606
Molar Refractivity: 67.48 cm3
Molar Volume: 195.5 cm3
Surface Tension: 52.1 dyne/cm 
Enthalpy of Vaporization: 67.28 kJ/mol
Vapour Pressure: 3.1E-07 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 279.009849
MonoIsotopic Mass: 279.009849
Topological Polar Surface Area: 60.2
Heavy Atom Count: 19
Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F
InChI: InChI=1S/C13H7ClFNO3/c14-11-6-3-9(7-12(11)16(18)19)13(17)8-1-4-10(15)5-2-8/h1-7H
InChIKey: ZUMMQWOIAMKUOT-UHFFFAOYSA-N
EINECS: 250-629-1
Product Categories of 4-Chloro-4'-fluoro-3-nitrobenzophenone (CAS NO.31431-16-0): Aromatic Benzophenones & Derivatives (substituted); Phenyls & Phenyl-Het; Phenyls & Phenyl-Het

Safety Profile

Hazard Codes: IrritantXi

Specification

 4-Chloro-4'-fluoro-3-nitrobenzophenone (CAS NO.31431-16-0) is also named as (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone ; methanone, (4-chloro-3-nitrophenyl)(4-fluorophenyl)- ; 3-Nitro-4-Chloro-4'-Fluorobenzophenone ; 4-Chloro-3-Nitro-4'-Fluorobenzophenone .