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  • 3,4-DIMETHYLBENZOPHENONE
Name:3,4-DIMETHYLBENZOPHENONE
CAS No:2571-39-3
CAS No:13152-94-8

PRODUCT DESCRIPTION

【Name】
3,4'-DIMETHYLBENZOPHENONE
【CAS Registry number】
13152-94-8;2571-39-3
【Synonyms】
3,4-Dimethylbenzophenone
(3,4-Dimethylphenyl)phenyl-methanone
【EINECS(EC#)】
219-916-9
【Molecular Formula】
C15H14O (Products with the same molecular formula)
【Molecular Weight】
210.27
【Inchi】
InChI=1/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
【Canonical SMILES】
CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C
【MOL File】
13152-94-8;2571-39-3.mol

Chemical and Physical Properties

【Density】
1.05g/cm3
【Melting Point】
45-47℃
【Boiling Point】
354.1°C at 760 mmHg
【Vapour】
3.43E-05mmHg at 25°C
【Refractive Index】
1.57
【Flash Point】
153.7°C
【Computed Properties】
Molecular Weight:210.27106 [g/mol]
Molecular Formula:C15H14O
XLogP3-AA:4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:210.104465
MonoIsotopic Mass:210.104465
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:238
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 】
S22;S24/25

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