1-PHENYL-2,4,6-TRINITROBENZENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H7N3O6
Molecular Weight	289.2005
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-PHENYL-2,4,6-TRINITROBENZENE

Structure Search

SMILES

[O-][N+](=O)C1=CC(=C(C2=CC=CC=C2)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=KXXIUGHYTQVIRG-UHFFFAOYSA-N

InChI=1S/C12H7N3O6/c16-13(17)9-6-10(14(18)19)12(11(7-9)15(20)21)8-4-2-1-3-5-8/h1-7H

HIDE SMILES / InChI

Molecular Formula	C12H7N3O6
Molecular Weight	289.2005
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 22:20:29 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:29 GMT 2025`
Record UNII	YZ0HVR7UYZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-76625

Preferred Name

English

1-PHENYL-2,4,6-TRINITROBENZENE

Systematic Name

English

2,4,6-TRINITRO-1,1'-BIPHENYL

Systematic Name

English

1,1'-BIPHENYL, 2,4,6-TRINITRO-

Systematic Name

English

2,4,6-TRINITROBIPHENYL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40183386

Created by admin on Mon Mar 31 22:20:29 GMT 2025 , Edited by admin on Mon Mar 31 22:20:29 GMT 2025

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CAS

29128-23-2

Created by admin on Mon Mar 31 22:20:29 GMT 2025 , Edited by admin on Mon Mar 31 22:20:29 GMT 2025

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NSC

76625

Created by admin on Mon Mar 31 22:20:29 GMT 2025 , Edited by admin on Mon Mar 31 22:20:29 GMT 2025

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PUBCHEM

96500

Created by admin on Mon Mar 31 22:20:29 GMT 2025 , Edited by admin on Mon Mar 31 22:20:29 GMT 2025

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FDA UNII

YZ0HVR7UYZ

Created by admin on Mon Mar 31 22:20:29 GMT 2025 , Edited by admin on Mon Mar 31 22:20:29 GMT 2025

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