3-Iodobenzotrifluoride

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4F3I
Molecular Weight	272.0063
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Iodobenzotrifluoride

Structure Search

SMILES

FC(F)(F)C1=CC(I)=CC=C1

InChI

InChIKey=IGISPMBUGPHLBY-UHFFFAOYSA-N

InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4F3I
Molecular Weight	272.0063
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 `Sat Dec 16 11:45:03 GMT 2023` Edited by `admin` on `Sat Dec 16 11:45:03 GMT 2023`
Record UNII	KW752XDX45
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Iodobenzotrifluoride

Common Name

English

m-(Trifluoromethyl)iodobenzene

Common Name

English

Benzene, 1-iodo-3-(trifluoromethyl)-

Systematic Name

English

1-Iodo-3-(trifluoromethyl)benzene

Systematic Name

English

Toluene, α,α,α-trifluoro-m-iodo-

Systematic Name

English

NSC-88322

Code

English

α,α,α-Trifluoro-m-iodotoluene

Systematic Name

English

m-Iodobenzotrifluoride

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

206-934-7

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY

CAS

401-81-0

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY

FDA UNII

KW752XDX45

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY

PUBCHEM

67868

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY

NSC

88322

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID6059948

Created by admin on Sat Dec 16 11:45:03 GMT 2023 , Edited by admin on Sat Dec 16 11:45:03 GMT 2023

PRIMARY