6-Chloro-4-nitro-1H-benzotriazole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H3ClN4O2
Molecular Weight	198.567
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Chloro-4-nitro-1H-benzotriazole

Structure Search

SMILES

[O-][N+](=O)C1=CC(Cl)=CC2=C1N=NN2

InChI

InChIKey=HRBBUEDJKCLTQE-UHFFFAOYSA-N

InChI=1S/C6H3ClN4O2/c7-3-1-4-6(9-10-8-4)5(2-3)11(12)13/h1-2H,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C6H3ClN4O2
Molecular Weight	198.567
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 19:06:01 GMT 2025` Edited by `admin` on `Tue Apr 01 19:06:01 GMT 2025`
Record UNII	HM6MV7MW8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Chloro-4-nitro-1H-benzotriazole

Systematic Name

English

NSC-509702

Preferred Name

English

Benzotriazole, 6-chloro-4-nitro-

Systematic Name

English

4-Nitro-6-chlorobenzotriazole

Systematic Name

English

1H-BENZOTRIAZOLE, 6-CHLORO-4-NITRO-

Systematic Name

English

6-Chloro-4-nitrobenzotriazole

Systematic Name

English

5-Chloro-7-nitro-1H-benzotriazole

Systematic Name

English

Code System Code Type Description

PUBCHEM

83130

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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EPA CompTox

DTXSID6065347

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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CAS

13091-80-0

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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FDA UNII

HM6MV7MW8N

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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NSC

509702

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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ECHA (EC/EINECS)

236-003-0

Created by admin on Tue Apr 01 19:06:02 GMT 2025 , Edited by admin on Tue Apr 01 19:06:02 GMT 2025

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