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(4-Isopropyl)thiophenol

(4-Isopropyl)thiophenol structure

CAS No:
4946-14-9
Formula:
C9H12S
Chemical Name:
(4-Isopropyl)thiophenol
Synonyms:
4-Isopropyl;Isopropylthiophenol;(4-Isopropyl)thiophe;4-ISOPROPYLTHIOPHENOL;P-ISOPROPYLTHIOPHENOL;4-ISOPROPYLBENZENETHIOL;P-ISOPROPYLBENZENETHIOL;4-Propan-2-ylbenzenethiol;(4-Isopropyl)thiophenol,95%;4-iso-Propylphenylmercaptan
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear colorless liquid

(4-Isopropyl)thiophenol Basic Attributes

Molecular Weight：

152.26

Exact Mass：

152.065964

BRN：

1906198

EC Number：

-0

DSSTox ID：

DTXSID20334591

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.86

Density：

1.0±0.1 g/cm3

Boiling Point：

99-100 °C14 mm Hg(lit.)

Flash Point：

223 °F

Refractive Index：

1.552

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2922 8/PG 2

wgk germany：

hazard class code：

20/21/22-34

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H312-H314-H332

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(4-Isopropyl)thiophenol Use and Manufacturing

Used in the synthesis of pesticides, medicines, dyes, etc.

Computed Properties

Molecular Weight:152.26
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:152.06597156
Monoisotopic Mass:152.06597156
Topological Polar Surface Area:1
Heavy Atom Count:10
Complexity:90.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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