1,1,1-TRICHLOROBUTANE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H7Cl3
Molecular Weight	161.457
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1,1-TRICHLOROBUTANE

Structure Search

SMILES

CCCC(Cl)(Cl)Cl

InChI

InChIKey=ABSHBZODGOHLFR-UHFFFAOYSA-N

InChI=1S/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H7Cl3
Molecular Weight	161.457
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 18:51:59 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:59 GMT 2025`
Record UNII	R9RW2GUN5R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,1,1-TRICHLOROBUTANE

Systematic Name

English

BUTANE, 1,1,1-TRICHLORO-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

236-280-8

Created by admin on Tue Apr 01 18:51:59 GMT 2025 , Edited by admin on Tue Apr 01 18:51:59 GMT 2025

PRIMARY

EPA CompTox

DTXSID60157802

Created by admin on Tue Apr 01 18:51:59 GMT 2025 , Edited by admin on Tue Apr 01 18:51:59 GMT 2025

PRIMARY

CAS

13279-85-1

Created by admin on Tue Apr 01 18:51:59 GMT 2025 , Edited by admin on Tue Apr 01 18:51:59 GMT 2025

PRIMARY

PUBCHEM

83297

Created by admin on Tue Apr 01 18:51:59 GMT 2025 , Edited by admin on Tue Apr 01 18:51:59 GMT 2025

PRIMARY

FDA UNII

R9RW2GUN5R

Created by admin on Tue Apr 01 18:51:59 GMT 2025 , Edited by admin on Tue Apr 01 18:51:59 GMT 2025

PRIMARY