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  • 2,4-Difluorobenzophenone
Name:2,4-Difluorobenzophenone
CAS No:342-25-6

PRODUCT DESCRIPTION

【Name】
2,4'-Difluorobenzophenone
【Iupac name】
(2-fluorophenyl)-(4-fluorophenyl)methanone
【CAS Registry number】
342-25-6
【Synonyms】
Methanone,(2-fluorophenyl)(4-fluorophenyl)-
【EINECS(EC#)】
206-441-7
【Molecular Formula】
C13H8F2O (Products with the same molecular formula)
【Molecular Weight】
218.2
【Inchi】
InChI=1/C13H8F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
【Canonical SMILES】
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)F
【MOL File】
342-25-6.mol

Chemical and Physical Properties

【Appearance】
colorless transparency liquid
【Density】
1.244
【Melting Point】
22-24℃
【Boiling Point】
176-178℃ (16 torr)
【Refractive Index】
1.5679-1.5699
【Flash Point】
126.8 °C
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:218.198826 [g/mol]
Molecular Formula:C13H8F2O
XLogP3:3.5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:218.054321
MonoIsotopic Mass:218.054321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:246
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:7

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Hazard Codes: IrritantXi 
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-37/39-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes. 
WGK Germany: 3
Hazard Note: Irritant 
HazardClass: IRRITANT

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