4-Nitrobenzotrifluoride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Nitrobenzotrifluoride

Structure Search

SMILES

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

InChI

InChIKey=XKYLCLMYQDFGKO-UHFFFAOYSA-N

InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
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 18:48:58 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:58 GMT 2025`
Record UNII	N47TT2JQ3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-159121

Preferred Name

English

4-Nitrobenzotrifluoride

Common Name

English

p-Nitro(trifluoromethyl)benzene

Systematic Name

English

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

Systematic Name

English

?,?,?-Trifluoro-p-nitrotoluene

Systematic Name

English

1-Nitro-4-(trifluoromethyl)benzene

Systematic Name

English

4-Nitro-1-(trifluoromethyl)benzene

Systematic Name

English

p-Nitrobenzotrifluoride

Systematic Name

English

Code System Code Type Description

FDA UNII

N47TT2JQ3Y

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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PUBCHEM

9821

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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ECHA (EC/EINECS)

206-948-3

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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NSC

159121

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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CAS

402-54-0

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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EPA CompTox

DTXSID0075281

Created by admin on Tue Apr 01 18:48:58 GMT 2025 , Edited by admin on Tue Apr 01 18:48:58 GMT 2025

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