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Merck
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重要文件

496642

Sigma-Aldrich

3-氰基苯基异硫氰酸酯

98%

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About This Item

線性公式:
NCC6H4NCS
CAS號碼:
分子量::
160.20
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:

化驗

98%

mp

64-66 °C (lit.)

官能基

isothiocyanate
nitrile

儲存溫度

2-8°C

SMILES 字串

S=C=Nc1cccc(c1)C#N

InChI

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

InChI 密鑰

UXCYPHCFQAFVFH-UHFFFAOYSA-N

一般說明

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.

應用

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.

訊號詞

Danger

危險分類

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

儲存類別代碼

8A - Combustible corrosive hazardous materials

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

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


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Copper-catalyzed synthesis of 3-substituted-5-amino-1,2,4-thiadiazoles via intramolecular N-S bond formation.
Kim HY, et al.
Tetrahedron, 70(45), 8737-8743 (2014)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 178-178 (2015)
Preparation of aryl isothiocyanates via protected phenylthiocarbamates and application to the synthesis of caffeic acid (4-isothiocyanato)phenyl ester.
X Zhang et al.
The Journal of organic chemistry, 65(19), 6237-6240 (2000-09-16)

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