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4-Chloro-2,5-dimethylbenzenethiol

4-Chloro-2,5-dimethylbenzenethiol structure

CAS No:
59962-29-7
Formula:
C8H9ClS
Chemical Name:
4-Chloro-2,5-dimethylbenzenethiol
Synonyms:
Benzenethiol,4-chloro-2,5-dimethyl-;2,5-Xylyl mercaptan,4-chloro-;4-Chloro-2,5-dimethylbenzenethiol

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4-Chloro-2,5-dimethylbenzenethiol Basic Attributes

Molecular Weight：

172.68

Exact Mass：

172.68

EC Number：

261-996-2

DSSTox ID：

DTXSID90208679

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.24550

Density：

1.178g/cm3

Melting Point：

92.5 °C

Boiling Point：

252.5ºC at 760 mmHg

Flash Point：

100.5ºC

Refractive Index：

1.582

Safety Information

hazard class code：

23/24/25-34

safety instructions：

26-36/37/39-45

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|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, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.68
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:172.0113492
Monoisotopic Mass:172.0113492
Topological Polar Surface Area:1
Heavy Atom Count:10
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Chloro-2,5-dimethylthiophenol

CAS No.: 59962-29-7

Content: 99.00%

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Guide of 4-Chloro-2,5-dimethylbenzenethiol

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-Chloro-2,5-dimethylbenzenethiol

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