487376
3-Nitrophenyl isothiocyanate
98%
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| Size/SKU | Availability | Price |
|---|---|---|
10 g | Check Cart for Availability | $276.00 $286.00 |
About This Item
Linear Formula:
O2NC6H4NCS
CAS Number:
Molecular Weight:
180.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Quality Segment
assay
98%
mp
57-60 °C (lit.)
functional group
isothiocyanate, nitro
storage temp.
2-8°C
SMILES string
[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 key
OEZXLKSZOAWNJU-UHFFFAOYSA-N
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.
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
1 of 1
This Item | ||
|---|---|---|
| description 98% | description 98% | description reagent grade, 98% |
| assay 98% | assay 98% | assay 98% |
| Quality Level 100 | Quality Level 100 | Quality Level 200 |
| storage temp. 2-8°C | storage temp. 2-8°C | storage temp. - |
| mp 57-60 °C (lit.) | mp - | mp −21 °C (lit.) |
| functional group nitro, isothiocyanate | functional group chloro, isocyanate | functional group isothiocyanate |
Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
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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