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2,4-Dichlorobenzenethiol

2,4-Dichlorobenzenethiol structure

CAS No:
1122-41-4
Formula:
C6H4Cl2S
Chemical Name:
2,4-Dichlorobenzenethiol
Synonyms:
Benzenethiol,2,4-dichloro-;2,4-Dichlorobenzenethiol;2,4-Dichlorothiophenol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

2,4-Dichlorobenzenethiol Basic Attributes

Molecular Weight：

179.07

Exact Mass：

179.07

EC Number：

214-346-7

DSSTox ID：

DTXSID20149945

HScode：

29309090

Characteristics

PSA：

38.80000

XLogP3：

4.12

Appearance：

clear colorless liquid

Density：

1.418 g/mL at 25 °C(lit.)

Melting Point：

20 °C

Boiling Point：

115 °C @ Press: 8 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.619(lit.)

Vapor Pressure：

0.0423mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

IRRITANT, STENCH

Transport codes：

2810

wgk germany：

hazard class code：

R36/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H302 (13.33%): 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.07
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:177.9410767
Monoisotopic Mass:177.9410767
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes