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  • Methanone,(2-chlorophenyl)(4-chlorophenyl)
Name:Methanone,(2-chlorophenyl)(4-chlorophenyl)
CAS No:85-29-0

PRODUCT DESCRIPTION

【Name】
Methanone,(2-chlorophenyl)(4-chlorophenyl)-
【Iupac name】
(2-chlorophenyl)-(4-chlorophenyl)methanone
【CAS Registry number】
85-29-0
【Synonyms】
Benzophenone,2,4'-dichloro- (6CI,7CI,8CI)
(2-Chlorophenyl)(4-chlorophenyl)methanone
NSC 3221
o,p'-DCBP
o,p'-Dichlorobenzophenone
【EINECS(EC#)】
201-596-7
【Molecular Formula】
C13H8Cl2O (Products with the same molecular formula)
【Molecular Weight】
251.11
【Inchi】
InChI=1/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
【InChIKey】
YXMYPHLWXBXNFF-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
【MOL File】
85-29-0.mol

Chemical and Physical Properties

【Appearance】
White crystal powder
【Density】
1.311 g/cm3
【Melting Point】
64ºC
【Boiling Point】
367.2 °C at 760 mmHg ,214 °C / 22mmHg
【Flash Point】
155.2 °C
【Computed Properties】
Molecular Weight:251.10802 [g/mol]
Molecular Formula:C13H8Cl2O
XLogP3:4.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:249.99522
MonoIsotopic Mass:249.99522
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:6

Safety and Handling

【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36

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