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283541

Sigma-Aldrich

4-Nitrophenyl isothiocyanate

98%

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About This Item

Linear Formula:
O2NC6H4NCS
CAS Number:
2131-61-5
Molecular Weight:
180.18
Beilstein:
640027
EC Number:
218-359-9
MDL number:
MFCD00007307
UNSPSC Code:
12352100
PubChem Substance ID:
24857115
NACRES:
NA.22

Quality Level

100

Assay

98%

form

powder

bp

137-138 °C/11 mmHg (lit.)

mp

110-112 °C (lit.)

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

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H317,H319,H334,H335

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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