3-NITROPHENYL ISOCYANATE Chemical Properties

Melting point:

51-52 °C(lit.)

Boiling point:

130-131 °C11 mm Hg(lit.)

Density 

1.5018 (rough estimate)

refractive index 

1.5300 (estimate)

Flash point:

>230 °F

storage temp. 

2-8°C

form 

Crystalline Solid

color 

Yellow

Sensitive 

Moisture Sensitive

InChI

1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H

InChIKey

GFFGYTMCNVMFAJ-UHFFFAOYSA-N

SMILES

[O-][N+](=O)c1cccc(c1)N=C=O

CAS DataBase Reference

3320-87-4(CAS DataBase Reference)

EPA Substance Registry System

Benzene, 1-isocyanato-3-nitro- (3320-87-4)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38-42/43

Safety Statements 

22-26-36/37-45

RIDADR 

2206

WGK Germany 

3

TSCA 

TSCA listed

HazardClass 

6.1

PackingGroup 

III

HS Code 

29291090

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3

MSDS

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

3-NITROPHENYL ISOCYANATE Usage And Synthesis

Chemical Properties

yellow crystalline solid

Uses

3-Nitrophenyl isocyanate may be used in chemical synthesis studies.

Purification Methods

Distil the isocyanate in a vacuum, and/or recrystallise it from pet ether (b 28-38o) or toluene/pet ether (m 52o). [Beilstein 12 H 708, 12 III 1573.]

3-NITROPHENYL ISOCYANATE(3320-87-4)Related Product Information

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• O-NITROPHENYL ISOCYANATE,2-NITROPHENYL ISOCYANATE
• 2-NITROPHENYL ISOCYANATE,O-NITROPHENYL ISOCYANATE,2-NITROPHENYL ISOCYANATE 97%
• 4-CHLORO-2-NITROPHENYL ISOCYANATE,4-CHLORO-2-NITROPHENYL ISOCYANATE 98%