3-NITROPHENYL ISOTHIOCYANATE Chemical Properties

Melting point:

57-60 °C(lit.)

Boiling point:

277.5°C (rough estimate)

Density 

1.4360 (rough estimate)

refractive index 

1.6000 (estimate)

storage temp. 

2-8°C

Water Solubility 

50.45mg/L(25 ºC)

Sensitive 

Moisture Sensitive

BRN 

2094061

InChIKey

OEZXLKSZOAWNJU-UHFFFAOYSA-N

CAS DataBase Reference

3529-82-6(CAS DataBase Reference)

EPA Substance Registry System

Benzene, 1-isothiocyanato-3-nitro- (3529-82-6)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

23-26-36/37/39-45

RIDADR 

UN 3261 8/PG 3

WGK Germany 

3

RTECS 

NX9110000

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

II

HS Code 

29309090

MSDS

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

3-NITROPHENYL ISOTHIOCYANATE Usage And Synthesis

Uses

3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:

• N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
• N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
• R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea

General Description

3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.

3-NITROPHENYL ISOTHIOCYANATE(3529-82-6)Related Product Information

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