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Merck
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文件

487376

Sigma-Aldrich

3-硝基苯基异硫氰酸酯

98%

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About This Item

线性分子式:
O2NC6H4NCS
CAS号:
3529-82-6
分子量:
180.18
MDL號碼:
MFCD00041245
分類程式碼代碼:
12352100
PubChem物質ID:
24872267
NACRES:
NA.22

化驗

98%

mp

57-60 °C (lit.)

儲存溫度

2-8°C

SMILES 字串

[O-][N+](=O)c1cccc(c1)N=C=S

InChI

1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H

InChI 密鑰

OEZXLKSZOAWNJU-UHFFFAOYSA-N

相关类别

一般說明

3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.

應用

3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:
  • N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
  • N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
  • R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea

象形圖

Corrosion
GHS05

訊號詞

Danger

危險聲明

H314

危險分類

Skin Corr. 1B

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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Synthesis and antimicrobial activity of novel naphtho[2,1-b]furo-5H-[3,2-d][1,3,4] thiadiazolo[3,2-a]pyrimidin-5-ones.
Ravindra KC, et al.
ARKIVOC (Gainesville, FL, United States), 11(1) (2008)
N-Aryl-N'-(chroman-4-yl) ureas and thioureas display in vitro anticancer activity and selectivity on apoptosis-resistant glioblastoma cells: Screening, synthesis of simplified derivatives, and structure-activity relationship analysis.
Goffin E, et al.
European Journal of Medicinal Chemistry, 54, 834-844 (2012)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 536-536 (2014)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 138-138 (2015)
A highly efficient methodology for 5-methyl-3-aryl-2-thiooxazolidin-4-ones using lithium perchlorate in DIPEA mediated synthesis.
Khatik GL, et al.
Journal of Heterocyclic Chemistry, 47(3), 734-734 (2010)
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