Key Documents

View All Documentation

283541

4-Nitrophenyl isothiocyanate

Name: 4-Nitrophenyl isothiocyanate
Brand: ALDRICH

98%

Select a Size

Change View

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

Technical Service

Need help? Our team of experienced scientists is here for you.

Let Us Assist

Properties

Quality Level

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

Description

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

GHS08,GHS07

signalword

Danger

hcodes

H315,H317,H319,H334,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

Solid?state reactivity of the hydrazine?hydroquinone complex.

Kaupp G and Schmeyers J.

Journal of Physical Organic Chemistry, 13(7), 388-394 (2000)

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)

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)

View All Related Papers

Global Trade Item Number

SKU	GTIN
283541-25G	04061826245897
283541-5G	04061826245903