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  • 4-Hydroxybenzophenone
Name:4-Hydroxybenzophenone
CAS No:1137-42-4

PRODUCT DESCRIPTION

【Name】
4-Hydroxybenzophenone
【Iupac name】
(4-hydroxyphenyl)-phenylmethanone
【CAS Registry number】
1137-42-4
【Synonyms】
4-Benzoylphenol
Methanone, (4-hydroxyphenyl)phenyl-
Benzophenone, 4-hydroxy- (6CI,7CI,8CI)
p-Hydroxybenzophenone
p-Benzoylphenol
Benzophenone, 4-hydroxy-
4-Hydroxy benzophenone
(4-hydroxyphenyl)-phenyl-methanone
(4-Hydroxyphenyl)phenylmethanone
(4-hydroxyphenyl)(phenyl)methanone
【EINECS(EC#)】
214-507-1
【Molecular Formula】
C13H10O2 (Products with the same molecular formula)
【Molecular Weight】
198.22
【Inchi】
InChI=1/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
【InChIKey】
NPFYZDNDJHZQKY-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
【MOL File】
1137-42-4.mol

Chemical and Physical Properties

【Appearance】
white to gray to brown powder.
【Density】
1.194 g/cm3
【Melting Point】
132-135℃
【Boiling Point】
260-262oC42mm
【Vapour】
6.5E-06mmHg at 25°C
【Refractive Index】
1.615
【Flash Point】
156.7oC
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29145000
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:198.2173 [g/mol]
Molecular Formula:C13H10O2
XLogP3:3.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:198.06808
MonoIsotopic Mass:198.06808
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Formal Charge:0
Complexity:211
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:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Safety】

Safety Information of?4-Hydroxybenzophenone (CAS NO.1137-42-4):
Hazard Codes:Xi? 
Risk Statements:36/37/38
Irritating to eyes, respiratory system and skin 
Safety Statements:26-36/37-24/25-36 
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing????? 
WGK Germany:2
RTECS? PC4959775
Hazard Note:Irritant 
HS Code:29145000
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.

【Specification】

First Aid Measures of 4-Hydroxybenzophenone (CAS NO.1137-42-4):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of 4-Hydroxybenzophenone (CAS NO.1137-42-4):
Store in a cool, dry place. Store in a tightly closed container.

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