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

Details

Stereochemistry ACHIRAL
Molecular Formula C3HBr5O
Molecular Weight 452.559
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTABROMOACETONE

SMILES

BrC(Br)C(=O)C(Br)(Br)Br

InChI

InChIKey=OEQPNRAFDGLBAW-UHFFFAOYSA-N
InChI=1S/C3HBr5O/c4-2(5)1(9)3(6,7)8/h2H

HIDE SMILES / InChI

Molecular Formula C3HBr5O
Molecular Weight 452.559
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 Mon Mar 31 21:18:05 GMT 2025
Edited
by admin
on Mon Mar 31 21:18:05 GMT 2025
Record UNII
FL257I110Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTABROMOACETONE [MI]
Preferred Name English
PENTABROMOACETONE
MI  
Systematic Name English
2-PROPANONE, PENTABROMO-
Systematic Name English
PENTABROMOPROPANONE
Systematic Name English
PENTABROMO-2-PROPANONE
Systematic Name English
1,1,3,3,3-PENTABROMOACETONE
Systematic Name English
1,1,1,3,3-PENTABROMO-2-PROPANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
65579
Created by admin on Mon Mar 31 21:18:05 GMT 2025 , Edited by admin on Mon Mar 31 21:18:05 GMT 2025
PRIMARY
CAS
79-49-2
Created by admin on Mon Mar 31 21:18:05 GMT 2025 , Edited by admin on Mon Mar 31 21:18:05 GMT 2025
PRIMARY
MERCK INDEX
m8485
Created by admin on Mon Mar 31 21:18:05 GMT 2025 , Edited by admin on Mon Mar 31 21:18:05 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID10229487
Created by admin on Mon Mar 31 21:18:05 GMT 2025 , Edited by admin on Mon Mar 31 21:18:05 GMT 2025
PRIMARY
FDA UNII
FL257I110Y
Created by admin on Mon Mar 31 21:18:05 GMT 2025 , Edited by admin on Mon Mar 31 21:18:05 GMT 2025
PRIMARY