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  • Methanone,bis(4-methylphenyl)
Name:Methanone,bis(4-methylphenyl)
CAS No:611-97-2

PRODUCT DESCRIPTION

【Name】
Methanone,bis(4-methylphenyl)-
【Iupac name】
bis(4-methylphenyl)methanone
【CAS Registry number】
611-97-2
【Synonyms】
Benzophenone,4,4'-dimethyl- (6CI,8CI)
4,4'-Carbonylbis[toluene]
4,4'-Dimethylbenzophenone
Bis(4-methylphenyl) ketone
Bis(4-methylphenyl)methanone
Bis(4-tolyl)methanone
Bis-p-tolyl ketone
Di(4-methylphenyl) ketone
Di-p-tolyl ketone
Di-p-tolylmethanone
NSC 1807
NSC 37137
p,p'-Dimethylbenzophenone
【EINECS(EC#)】
210-287-6
【Molecular Formula】
C15H14 O (Products with the same molecular formula)
【Molecular Weight】
210.27
【Inchi】
InChI=1/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
【Canonical SMILES】
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
【MOL File】
611-97-2.mol

Chemical and Physical Properties

【Appearance】
White crystals crystals.
【Density】
1.18 g/cm3
【Melting Point】
93-97℃
【Boiling Point】
200℃ (17 mmHg)
【Refractive Index】
1.57
【Flash Point】
200°C/17mm
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:210.27106 [g/mol]
Molecular Formula:C15H14O
XLogP3:3.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:210.104465
MonoIsotopic Mass:210.104465
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:206
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:2

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
36/37/38
【Safety Statements 】
S24/25

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