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About This Item
Linear Formula:
O2NC6H4NCS
CAS Number:
Molecular Weight:
180.18
Beilstein:
640027
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
form
powder
bp
137-138 °C/11 mmHg (lit.)
mp
110-112 °C (lit.)
functional group
isothiocyanate
nitro
SMILES string
[O-][N+](=O)c1ccc(cc1)N=C=S
InChI
1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChI key
NXHSSIGRWJENBH-UHFFFAOYSA-N
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General description
The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.
Application
4-Nitrophenyl isothiocyanate has been used in the synthesis of:
- 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one
- 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides
- acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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