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283541

4-Nitrophenyl isothiocyanate

98%

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About This Item

Linear Formula:
O2NC6H4NCS
CAS Number:
2131-61-5
Molecular Weight:
180.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857115
EC Number:
218-359-9
Beilstein/REAXYS Number:
640027
MDL number:
MFCD00007307
Assay:
98%
Form:
powder
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Quality Segment

100

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

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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