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4-Hydroxybenzophenone

4-Hydroxybenzophenone structure

CAS No:
1137-42-4
Formula:
C13H10O2
Chemical Name:
4-Hydroxybenzophenone
Synonyms:
Methanone,(4-hydroxyphenyl)phenyl-;Benzophenone,4-hydroxy-;Benzophenone,p-hydroxy-;(4-Hydroxyphenyl)phenylmethanone;p-Hydroxybenzophenone;p-Benzoylphenol;4-Benzoylphenol;4-Hydroxybenzophenone;4′-Hydroxybenzophenone;4-Hydroxyphenyl phenyl ketone;NSC 1887;N-(4-Hydroxylphenyl)-N′-phenylurea;1-(4-Hydroxyphenyl)-1-phenylmethanone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to beige fine crystalline powder

4-Hydroxybenzophenone is a member of benzophenones.

4-Hydroxybenzophenone Basic Attributes

Molecular Weight：

198.221

Exact Mass：

198.22

EC Number：

214-507-1

UNII：

04R2LWS0MS

NSC Number：

1887

DSSTox ID：

DTXSID5036684

HScode：

29145000

Characteristics

PSA：

37.3

XLogP3：

3.1

Appearance：

white to gray to brown powder.

Density：

1.1184 (rough estimate)

Melting Point：

132-135 °C

Boiling Point：

320-325 °C

Flash Point：

260-262°C/24mm

Refractive Index：

1.5954 (estimate)

Water Solubility：

Insoluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

6.5E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36/37-24/25-36

RTECS Number：

PC4959775

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (67.53%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 78 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

4-Hydroxybenzophenone has known human metabolites that include (2S,3S,4S,5R)-6-(4-Benzoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

MeSH Entry Terms：

4-hydroxybenzophenone

4-Hydroxybenzophenone Use and Manufacturing

Uses

Metabolite of benzophenone.

Manufacturing Info：

Methanone, (4-hydroxyphenyl)phenyl-: ACTIVE

Computed Properties

Molecular Weight:198.22
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.068079557
Monoisotopic Mass:198.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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