5-Nitroisophthaloyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H3Cl2NO4
Molecular Weight	248.02
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Nitroisophthaloyl chloride

Structure Search

SMILES

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

InChI

InChIKey=OHIVUAREQFICPK-UHFFFAOYSA-N

InChI=1S/C8H3Cl2NO4/c9-7(12)4-1-5(8(10)13)3-6(2-4)11(14)15/h1-3H

HIDE SMILES / InChI

Molecular Formula	C8H3Cl2NO4
Molecular Weight	248.02
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:52:31 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:31 GMT 2025`
Record UNII	GK5QV82UE8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Nitroisophthaloyl chloride

Systematic Name

English

1,3-Benzenedicarbonyl dichloride, 5-nitro-

Preferred Name

English

5-Nitro-1,3-benzenedicarbonyl dichloride

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

236-575-1

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

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FDA UNII

GK5QV82UE8

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

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PUBCHEM

83451

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

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CAS

13438-30-7

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

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EPA CompTox

DTXSID90158680

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

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