3,4-DINITROBENZYL ALCOHOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6N2O5
Molecular Weight	198.1329
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DINITROBENZYL ALCOHOL

Structure Search

SMILES

OCC1=CC=C(C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=GALBVKDHQBDIJR-UHFFFAOYSA-N

InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2

HIDE SMILES / InChI

Molecular Formula	C7H6N2O5
Molecular Weight	198.1329
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 18:40:36 GMT 2025` Edited by `admin` on `Tue Apr 01 18:40:36 GMT 2025`
Record UNII	QGR7VYD4JX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DINITROBENZYL ALCOHOL

Systematic Name

English

(3,4-DINITROPHENYL)METHANOL

Preferred Name

English

BENZENEMETHANOL, 3,4-DINITRO-

Systematic Name

English

3,4-DINITROBENZENEMETHANOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90229763

Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025

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CAS

79544-31-3

Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025

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ECHA (EC/EINECS)

279-178-9

Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025

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PUBCHEM

157302

Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025

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FDA UNII

QGR7VYD4JX

Created by admin on Tue Apr 01 18:40:36 GMT 2025 , Edited by admin on Tue Apr 01 18:40:36 GMT 2025

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