产品名称
3-硝基苯基异硫氰酸酯, 98%
InChI
1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
SMILES string
[O-][N+](=O)c1cccc(c1)N=C=S
InChI key
OEZXLKSZOAWNJU-UHFFFAOYSA-N
assay
98%
mp
57-60 °C (lit.)
functional group
isothiocyanate
nitro
storage temp.
2-8°C
Quality Level
Application
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:
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
General description
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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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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