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496642

3-Cyanophenyl isothiocyanate

98%

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About This Item

Linear Formula:
NCC6H4NCS
CAS Number:
3125-78-8
Molecular Weight:
160.20
UNSPSC Code:
12352100
PubChem Substance ID:
24873073
MDL number:
MFCD00041070
Assay:
98%
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assay

98%

mp

64-66 °C (lit.)

functional group

isothiocyanate, nitrile

storage temp.

2-8°C

SMILES string

S=C=Nc1cccc(c1)C#N

InChI

1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H

InChI key

UXCYPHCFQAFVFH-UHFFFAOYSA-N

General description

3-Cyanophenyl isothiocyanate, also known as 3-isothiocyanatobenzonitrile, is an organic building block containing an isocyanate group Its freezing point, density and refractive index have been reported.

Application

3-Cyanophenyl isothiocyanate may be used in the synthesis of ((3-cyanophenyl)amino)((2-phenylethyl)amino)methane- 1-thione and N-((3-cyanophenyl)carbamothioyl)benzimidamide.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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