U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C4H5Cl3O
Molecular Weight 175.441
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYLCHLORAL

SMILES

CC(Cl)C(Cl)(Cl)C=O

InChI

InChIKey=OXVISHZELPRKFQ-UHFFFAOYSA-N
InChI=1S/C4H5Cl3O/c1-3(5)4(6,7)2-8/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5Cl3O
Molecular Weight 175.441
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:34:38 GMT 2023
Edited
by admin
on Fri Dec 15 17:34:38 GMT 2023
Record UNII
4LSJ4988IB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYLCHLORAL
Systematic Name English
(±)-BUTYLCHLORAL
Systematic Name English
.ALPHA.,.ALPHA.,.BETA.-TRICHLORO-N-BUTYRALDEHYDE
MI  
Common Name English
.ALPHA.,.ALPHA.,.BETA.-TRICHLORO-N-BUTYRALDEHYDE [MI]
Common Name English
CROTONCHLORALUM [HPUS]
Common Name English
BUTYRALDEHYDE, 2,2,3-TRICHLORO-
Systematic Name English
CROTONCHLORAL
Common Name English
BUTYRCHLORAL
Common Name English
BUTYL CHLORAL
Systematic Name English
CROTONCHLORALUM
HPUS  
Common Name English
BUTYLCHLORAL, (±)-
Systematic Name English
BUTANAL, 2,2,3-TRICHLORO-
Systematic Name English
2,2,3-TRICHLOROBUTANAL
Systematic Name English
NSC-1132
Code English
Code System Code Type Description
MERCK INDEX
m11069
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY Merck Index
PUBCHEM
64686
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY
NSC
1132
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID50871545
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY
CAS
76-36-8
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY
FDA UNII
4LSJ4988IB
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
200-953-4
Created by admin on Fri Dec 15 17:34:38 GMT 2023 , Edited by admin on Fri Dec 15 17:34:38 GMT 2023
PRIMARY