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4-Ethylbenzenethiol

4-Ethylbenzenethiol structure

CAS No:
4946-13-8
Formula:
C8H10S
Chemical Name:
4-Ethylbenzenethiol
Synonyms:
Benzenethiol,4-ethyl-;Benzenethiol,p-ethyl-;4-Ethylbenzenethiol;p-Ethylbenzenethiol;p-Ethylthiophenol;p-Ethylphenylmercaptan;4-Ethylthiophenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless to pale yellow liquid

4-Ethylbenzenethiol Basic Attributes

Molecular Weight：

138.23

Exact Mass：

138.23

BRN：

1905734

EC Number：

-0

DSSTox ID：

DTXSID40374550

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.51

Density：

1.0±0.1 g/cm3

Melting Point：

-30°C (estimate)

Boiling Point：

207-209 °C @ Press: 730 Torr

Flash Point：

119-120°C/30mm

Refractive Index：

1.566

Safety Information

Hazard category：

IRRITANT, AIR SENSITIVE, STENCH

Transport codes：

2810

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-36/37-23

Marks：

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 (66.67%): 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:138.23
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:72.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-ETHYLTHIOPHENOL

CAS No.: 4946-13-8

Grade: industrial Grade

Content: 98%

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