About This Item
Fórmula linear:
O2NC6H4NCS
Número CAS:
Peso molecular:
180.18
Número MDL:
Código UNSPSC:
12352100
ID de substância PubChem:
NACRES:
NA.22
Produtos recomendados
Ensaio
98%
pf
57-60 °C (lit.)
grupo funcional
isothiocyanate
nitro
temperatura de armazenamento
2-8°C
cadeia de caracteres SMILES
[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
chave InChI
OEZXLKSZOAWNJU-UHFFFAOYSA-N
Descrição geral
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.
Aplicação
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
Palavra indicadora
Danger
Frases de perigo
Declarações de precaução
Classificações de perigo
Skin Corr. 1B
Código de classe de armazenamento
8A - Combustible corrosive hazardous materials
Classe de risco de água (WGK)
WGK 3
Ponto de fulgor (°F)
Not applicable
Ponto de fulgor (°C)
Not applicable
Equipamento de proteção individual
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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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)
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)
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 536-536 (2014)
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)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 138-138 (2015)
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