3,5-Dinitro-p-toluic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6N2O6
Molecular Weight	226.143
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Dinitro-p-toluic acid

Structure Search

SMILES

CC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O

InChI

InChIKey=LZWWZQXBKVZKIP-UHFFFAOYSA-N

InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H6N2O6
Molecular Weight	226.143
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 `Mon Mar 31 23:28:57 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:57 GMT 2025`
Record UNII	HPM5AZ39WE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AI3-14622

Preferred Name

English

3,5-Dinitro-p-toluic acid

Systematic Name

English

p-Toluic acid, 3,5-dinitro-

Systematic Name

English

3,5-Dinitro-4-toluic acid

Systematic Name

English

Benzoic acid, 4-methyl-3,5-dinitro-

Systematic Name

English

NSC-5589

Code

English

4-Methyl-3,5-dinitrobenzoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

85477

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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EPA CompTox

DTXSID10167931

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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FDA UNII

HPM5AZ39WE

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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CAS

16533-71-4

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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NSC

5589

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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ECHA (EC/EINECS)

240-603-8

Created by admin on Mon Mar 31 23:28:57 GMT 2025 , Edited by admin on Mon Mar 31 23:28:57 GMT 2025

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