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  • 3,4-Dihydroxybenzophenone
Name:3,4-Dihydroxybenzophenone
CAS No:10425-11-3

PRODUCT DESCRIPTION

【Name】
3,4-Dihydroxybenzophenone
【CAS Registry number】
10425-11-3
【Synonyms】
Methanone,(3,4-dihydroxyphenyl)phenyl-
Benzophenone,3,4-dihydroxy- (7CI,8CI)
【Molecular Formula】
C13H10O3 (Products with the same molecular formula)
【Molecular Weight】
214.22
【Inchi】
InChI=1/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
【MOL File】
10425-11-3.mol

Chemical and Physical Properties

【Appearance】
White to off-white powder
【Density】
1.302 g/cm3
【Melting Point】
133℃
【Boiling Point】
433.8 °C at 760 mmHg
【Vapour】
3.93E-08mmHg at 25°C
【Refractive Index】
1.647
【Flash Point】
230.3 °C
【Computed Properties】
Molecular Weight:214.2167 [g/mol]
Molecular Formula:C13H10O3
XLogP3-AA:2.6
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:12
Exact Mass:214.062994
MonoIsotopic Mass:214.062994
Topological Polar Surface Area:57.5
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 Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】

Hazard Codes:?IrritantXi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.

【Specification】

?3,4-Dihydroxybenzophenone , its cas register number is 10425-11-3. It also can be called Methanone, (3,4-dihydroxyphenyl)phenyl- ; (3,4-Dihydroxyphenyl)(phenyl)methanone ; and (3,4-Dihydroxyphenyl)phenylmethanone .

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