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Merck

279684

Sigma-Aldrich

4-(Methylthio)benzonitrile

98%

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About This Item

Linear Formula:
CH3SC6H4CN
CAS Number:
Molecular Weight:
149.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

Assay

98%

form

solid

bp

272 °C (lit.)

mp

61-63 °C (lit.)

functional group

nitrile
thioether

SMILES string

CSc1ccc(cc1)C#N

InChI

1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

InChI key

RPVGEEHGKIFQFO-UHFFFAOYSA-N

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1 of 4

This Item
D139505193224422967
bp

272 °C (lit.)

bp

318 °C (lit.)

bp

-

bp

140-145 °C/16 mmHg (lit.)

form

solid

form

crystals

form

-

form

-

mp

61-63 °C (lit.)

mp

72-75 °C (lit.)

mp

137-139 °C (lit.)

mp

37-42 °C (lit.)

General description

Surface-enhanced Raman scattering of 4-(methylthio)benzonitrile adsorbed on silver surface has been investigated[1].

Application

4-(Methylthio)benzonitrile was used in the preparation of 4-cyanobenzenethiol[2].

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Unsymmetrical aryl disulfides with excellent transparency in the visible region for second order nonlinear optics.
Sudharsanam R, et al.
Journal of Materials Chemistry, 12(10), 2904-2908 (2002)
Investigation of adsorption and decomposition of 4-(methylthio) benzonitrile on a silver surface by Raman spectroscopy.
Yi SS, et al.
Journal of Raman Spectroscopy, 24(4), 213-219 (1993)

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