4-NITROPHENYL ISOTHIOCYANATE Chemical Properties

Melting point:

110-112 °C(lit.)

Boiling point:

137-138 °C11 mm Hg(lit.)

Density 

1.4360 (rough estimate)

refractive index 

1.6000 (estimate)

Flash point:

137-138°C/11mm

storage temp. 

Store at <= 20°C.

solubility 

Very slightly soluble in alcohol and oils.

form 

powder to crystal

color 

Light orange to Yellow to Green

Odor

Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine.

Water Solubility 

It hydrolyzes with water. Soluble in toluene.

Sensitive 

Moisture Sensitive

BRN 

640027

InChIKey

NXHSSIGRWJENBH-UHFFFAOYSA-N

CAS DataBase Reference

2131-61-5(CAS DataBase Reference)

EPA Substance Registry System

Benzene, 1-isothiocyanato-4-nitro- (2131-61-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

36/37/38-42

Safety Statements 

22-26-36

RIDADR 

2811

WGK Germany 

3

F 

10-21

TSCA 

Yes

HazardClass 

6.1(b)

PackingGroup 

III

HS Code 

29309090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-NITROPHENYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

yellow crystalline powder

Uses

4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production

Uses

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

Production Methods

4-nitrophenyl isothiocyanat can be produced from para-Nitroaniline with Thiophosgene, or from para-Nitrothiocarbanilide by heating with diluted sulfuric acid.

Synthesis Reference(s)

The Journal of Organic Chemistry, 37, p. 1360, 1972 DOI: 10.1021/jo00974a016

General Description

The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.

4-NITROPHENYL ISOTHIOCYANATE(2131-61-5)Related Product Information

• SEC-BUTYL ISOTHIOCYANATE
• Phenyl isothiocyanate
• Ethoxycarbonyl Isothiocyanate
• ETHYL ISOTHIOCYANATOACETATE
• 2,3-DICHLOROPHENYL ISOTHIOCYANATE
• CYCLOPENTYL ISOTHIOCYANATE
• ISOBUTYL ISOTHIOCYANATE
• 3-BROMOPHENYL ISOTHIOCYANATE
• CYCLOPROPYL ISOTHIOCYANATE
• Fluorescein isothiocyanate isomer I
• 2-CHLOROETHYL ISOTHIOCYANATE
• Isopropyl isothiocyanate
• Methyl isothiocyanate
• Ethyl isothiocyanate
• 4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE
• 4-METHYL-2-NITROPHENYL ISOTHIOCYANATE,4-METHYL-2-NITROPHENYL ISOTHIOCYANATE 97%
• 4-METHOXY-2-NITROPHENYL ISOTHIOCYANATE
• 2-METHOXY-4-NITROPHENYL ISOTHIOCYANATE