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Safety Information

540854

Sigma-Aldrich

4-Isopropylbenzenethiol

95%

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About This Item

Linear Formula:
(CH3)2CHC6H4SH
CAS Number:
4946-14-9
Molecular Weight:
152.26
MDL number:
MFCD00041505
UNSPSC Code:
12352100
PubChem Substance ID:
24878500
NACRES:
NA.22

Assay

95%

refractive index

n20/D 1.552 (lit.)

bp

99-100 °C/14 mmHg (lit.)

density

0.979 g/mL at 25 °C (lit.)

SMILES string

CC(C)c1ccc(S)cc1

InChI

1S/C9H12S/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

InChI key

APDUDRFJNCIWAG-UHFFFAOYSA-N

General description

4-Isopropylbenzenethiol is an aromatic thiol. It undergoes oxidation in the presence of activated carbon and xylene to afford the corresponding disulfide. 4-Isopropylbenzenethiol reacts with 2-chloro-3-formylquinolines and NaH in DMSO to afford the corresponding 2-(4-isopropylphenylthio)quinoline-3-carbaldehyde.

Application

4-Isopropylbenzenethiol may be used to synthesize 4-(4-isopropyl-phenylsulfanyl)-benzene-1,2-diol.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312 + H332,H314

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
16718TH
15320PI

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First construction of 12H-thiochromeno [2, 3-b] quinolines and 5H-benzo [7, 8] thiocino-[2, 3-b] quinolines via intramolecular Friedel-Crafts reaction of Morita-Baylis-Hillman adducts.
Zhong W, et al.
Tetrahedron, 67(19), 3509-3518 (2011)
Oxidative transformation of thiols to disulfides promoted by activated carbon-air system.
Hayashi M, et al.
Tetrahedron Letters, 51(51), 6734-6736 (2010)
Tsuneo Kashiwagi et al.
Chemical communications (Cambridge, England), 48(22), 2806-2808 (2012-02-04)
We have successfully demonstrated that a microflow reactor is extremely useful in controlling reactions involving an unstable o-benzoquinone. The key features of the method are an effective o-benzoquinone generation and its rapid use for the following reaction without decomposition in
Homan Kang et al.
Scientific reports, 5, 10144-10144 (2015-05-29)
Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinct encoding/decoding methods such as chemical encoding, graphical encoding, and optical encoding have been

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