Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

283541

Sigma-Aldrich

4-Nitrophenyl isothiocyanate

98%

Sign Into View Organizational & Contract Pricing
All Photos(1)

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

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Investigation into the reaction of 2-amino-4, 5-dimethylthiophene-3-carboxamide with iso (and isothio) cyanates under microwave irradiation.
Davoodnia A, et al.
Heteroatom Chem., 20(6), 346-349 (2009)
Solid?state reactivity of the hydrazine?hydroquinone complex.
Kaupp G and Schmeyers J.
Journal of Physical Organic Chemistry, 13(7), 388-394 (2000)
Exploring the nucleophilicity of N, N'-diamidocarbenes: Heteroallenes and related compounds as coupling reagents.
Lee YG, et al.
Journal of Physical Organic Chemistry, 25(11), 1027-1027 (2012)
Nargess Yousefi Limaee et al.
Journal of fluorescence, 30(2), 375-387 (2020-02-23)
Fluorescent molecularly imprinted polymer (FMIP) optosensor was utilized for the selective identification of 2,4-dichlorophenoxacetic acid (2,4-D) due to worldwide pollution caused by using herbicides in agricultural industry. In this regards, two derivatives of polymerizable 1,8-naphthalimide namely, 1,8-naphthalimide containing thiourea (NI)
Junta Sano et al.
Polymers, 12(5) (2020-05-24)
Novel interpenetrating polymer networks (IPNs) were synthesized from N-isopropylacrylamide (NIPAM) and polysiloxanes containing a urea or thiourea side group, in addition to the silanol residue, through two reactions, such as the radical gelation of NIPAM and the condensation of silanols
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service