2,4-DINITROPHENYL ACETATE

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NCATS

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 2,4-DINITROPHENYL ACETATE

Structure Search

SMILES

CC(=O)OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=CDMLJWCAUSWULM-UHFFFAOYSA-N

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

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

PubMed

PubMed

Title	Date	PubMed
Concerted mechanisms of the reactions of 2,4,6-trinitrophenyl methyl carbonate and 2,4,6-trinitrophenyl acetate with secondary alicyclic amines.	2001-09-07	11529724

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:24:13 GMT 2025` Edited by `admin` on `Mon Mar 31 19:24:13 GMT 2025`
Record UNII	917I71M979
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-99812

Preferred Name

English

2,4-DINITROPHENYL ACETATE

Systematic Name

English

PHENOL, 2,4-DINITRO-, ACETATE (ESTER)

Common Name

English

PHENOL, 2,4-DINITRO-, 1-ACETATE

Common Name

English

PHENOL, 2,4-DINITRO-, ACETATE

Systematic Name

English

Code System Code Type Description

NSC

99812

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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FDA UNII

917I71M979

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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CAS

4232-27-3

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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EPA CompTox

DTXSID9063372

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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PUBCHEM

20224

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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ECHA (EC/EINECS)

224-189-6

Created by admin on Mon Mar 31 19:24:13 GMT 2025 , Edited by admin on Mon Mar 31 19:24:13 GMT 2025

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