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Chloro-1,4-benzoquinone

Chloro-1,4-benzoquinone structure

CAS No:
695-99-8
Formula:
C6H3ClO2
Chemical Name:
Chloro-1,4-benzoquinone
Synonyms:
2,5-Cyclohexadiene-1,4-dione,2-chloro-;p-Benzoquinone,2-chloro-;p-Benzoquinone,chloro-;2-Chloro-2,5-cyclohexadiene-1,4-dione;Monochloro-p-benzoquinone;2-Chloro-p-benzoquinone;2-Chloro-1,4-benzoquinone;Chloro-p-benzoquinone;Monochloroquinone;Chloroquinone;Chloro-1,4-benzoquinone;2-Chloroquinone;NSC 526777;58052-13-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

YELLOW TO BROWN CRYSTALS

Chloro-1,4-benzoquinone Basic Attributes

Molecular Weight：

142.54

Exact Mass：

142.54

NSC Number：

526777

HScode：

2914700090

Characteristics

PSA：

34.1

XLogP3：

0.81710

Appearance：

Yellow to brown Crystals

Density：

1.4g/cm3

Melting Point：

56-56.5 °C @ Solvent: Ethanol, Water

Boiling Point：

210℃

Flash Point：

83℃

Refractive Index：

1.551

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-15-10

safety instructions：

26-37/39-43-36-7/8

Marks：

Xi,Xn,F

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-chloro-1,4-benzoquinone

Computed Properties

Molecular Weight:142.54
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:141.9821570
Monoisotopic Mass:141.9821570
Topological Polar Surface Area:34.1
Heavy Atom Count:9
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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