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  • 4,4-Dimethoxybenzophenone
Name:4,4-Dimethoxybenzophenone
CAS No:90-96-0

PRODUCT DESCRIPTION

【Name】
4,4'-Dimethoxybenzophenone
【CAS Registry number】
90-96-0
【Synonyms】
4,4-Dimethoxy Benzophenone
【EINECS(EC#)】
202-028-0
【Molecular Formula】
C15H14O3 (Products with the same molecular formula)
【Molecular Weight】
242.27
【Inchi】
InChI=1/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
【InChIKey】
RFVHVYKVRGKLNK-UHFFFAOYSA-N
【Canonical SMILES】
COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
【MOL File】
90-96-0.mol

Chemical and Physical Properties

【Appearance】
White powder crystalline
【Density】
1.123 g/cm3
【Melting Point】
141-146℃
【Boiling Point】
391.3 °C at 760 mmHg
【Refractive Index】
1.557
【Flash Point】
182 °C
【HS Code】
29145000
【Computed Properties】
Molecular Weight:242.26986 [g/mol]
Molecular Formula:C15H14O3
XLogP3:3.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:242.094294
MonoIsotopic Mass:242.094294
Topological Polar Surface Area:35.5
Heavy Atom Count:18
Formal Charge:0
Complexity:235
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:3
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:7

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Hazard Note】
Irritant
【Safety】

Hazard Codes of Methanone,bis(4-methoxyphenyl)- (CAS NO.90-96-0): IrritantXi 
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
WGK Germany: 3
Hazard Note: Irritant 
HS Code: 29145000

【Specification】

white to light yellow crystal powder
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

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