1-Methyl-4-nitro-2-(trifluoromethyl)benzene

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Methyl-4-nitro-2-(trifluoromethyl)benzene

Structure Search

SMILES

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

InChI

InChIKey=SVQCVQCIZWSPPX-UHFFFAOYSA-N

InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
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 `Wed Apr 02 17:20:32 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:32 GMT 2025`
Record UNII	8GZW6C8KXQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-Methyl-4-nitro-2-trifluoromethylbenzene

Preferred Name

English

1-Methyl-4-nitro-2-(trifluoromethyl)benzene

Systematic Name

English

Benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-

Systematic Name

English

2-(Trifluoromethyl)-4-nitrotoluene

Systematic Name

English

2-Methyl-5-nitrobenzotrifluoride

Systematic Name

English

o-Xylene, ?1,?1,?1-trifluoro-5-nitro-

Systematic Name

English

Code System Code Type Description

CAS

89976-12-5

Created by admin on Wed Apr 02 17:20:32 GMT 2025 , Edited by admin on Wed Apr 02 17:20:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID90379550

Created by admin on Wed Apr 02 17:20:32 GMT 2025 , Edited by admin on Wed Apr 02 17:20:32 GMT 2025

PRIMARY

PUBCHEM

2775447

Created by admin on Wed Apr 02 17:20:32 GMT 2025 , Edited by admin on Wed Apr 02 17:20:32 GMT 2025

PRIMARY

FDA UNII

8GZW6C8KXQ

Created by admin on Wed Apr 02 17:20:32 GMT 2025 , Edited by admin on Wed Apr 02 17:20:32 GMT 2025

PRIMARY