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1,4-Benzenedithiol

1,4-Benzenedithiol structure

CAS No:
624-39-5
Formula:
C6H6S2
Chemical Name:
1,4-Benzenedithiol
Synonyms:
1,4-Benzenedithiol;p-Benzenedithiol;1,4-Dimercaptobenzene;Hydroquinone disulfide;4-Mercaptothiophenol
Categories:
Chemical Reagents > Organic Reagents

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1,4-Benzenedithiol Basic Attributes

Molecular Weight：

142.24

Exact Mass：

142.24

BRN：

1680022

EC Number：

-0

DSSTox ID：

DTXSID80405615

HScode：

2930909090

Characteristics

PSA：

XLogP3：

2.1

Appearance：

white to light yellow solid

Density：

1.2±0.1 g/cm3

Melting Point：

98 °C

Boiling Point：

243.3°C at 760 mmHg

Flash Point：

111.8±16.5 °C

Refractive Index：

1.666

Water Solubility：

soluble in water.

Storage Conditions：

2-8°C

Safety Information

Hazard category：

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,3-benzenedithiol

Computed Properties

Molecular Weight:142.2
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:141.99109254
Monoisotopic Mass:141.99109254
Topological Polar Surface Area:2
Heavy Atom Count:8
Complexity:54.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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