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1,3-Benzenediol, 1,3-dibenzoate

1,3-Benzenediol, 1,3-dibenzoate structure

CAS No:
94-01-9
Formula:
C20H14O4
Chemical Name:
1,3-Benzenediol, 1,3-dibenzoate
Synonyms:
1,3-Benzenediol,1,3-dibenzoate;Resorcinol,dibenzoate;1,3-Benzenediol,dibenzoate;1,3-Bis(benzoyloxy)benzene;1,3-Dibenzoyloxybenzene;NSC 33405;NSC 4906;1,3-Phenylene dibenzoate;31228-61-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE TO BEIGE OR PALE BROWN CRYSTALLINE POWDER

1,3-Benzenediol, 1,3-dibenzoate Basic Attributes

Molecular Weight：

318.32300

Exact Mass：

318.32

EC Number：

202-294-8

UNII：

TO6NXP18UZ

NSC Number：

33405|4906

HScode：

2916399090

Characteristics

PSA：

52.60000

XLogP3：

4.12500

Appearance：

white to beige or pale brown crystalline powder

Density：

1.242g/cm3

Melting Point：

117 °C

Boiling Point：

450 °C

Flash Point：

93°C

Refractive Index：

1.615

Toxicity：

LD50 ipr-mus: 8000 mg/kg JAPMA8 46,185,57

Safety Information

hazard class code：

36/37/38

safety instructions：

S24/25

RTECS Number：

VH0590000

1,3-Benzenediol, 1,3-dibenzoate Use and Manufacturing

Manufacturing Info：

1,3-Benzenediol, 1,3-dibenzoate: INACTIVE

Computed Properties

Molecular Weight:318.3
XLogP3:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:318.08920892
Monoisotopic Mass:318.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:24
Complexity:383
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Benzenediol, 1,3-dibenzoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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1,3-Benzenediol, 1,3-dibenzoate

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