3-Nitrophenyl isocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Nitrophenyl isocyanate

Structure Search

SMILES

[O-][N+](=O)C1=CC(=CC=C1)N=C=O

InChI

InChIKey=GFFGYTMCNVMFAJ-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:45:34 GMT 2025` Edited by `admin` on `Tue Apr 01 17:45:34 GMT 2025`
Record UNII	44E2KF3T6P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Nitrophenyl isocyanate

Systematic Name

English

NSC-5385

Preferred Name

English

Benzene, 1-isocyanato-3-nitro-

Systematic Name

English

1-Isocyanato-3-nitrobenzene

Systematic Name

English

m-Nitrophenyl isocyanate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

222-025-8

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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EPA CompTox

DTXSID5062976

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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NSC

5385

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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CAS

3320-87-4

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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FDA UNII

44E2KF3T6P

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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PUBCHEM

76835

Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025

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