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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11Br3O6
Molecular Weight 454.892
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3-Propanetriyl tris(bromoacetate)

SMILES

BrCC(=O)OCC(COC(=O)CBr)OC(=O)CBr

InChI

InChIKey=CJUOWAWICLNGCQ-UHFFFAOYSA-N
InChI=1S/C9H11Br3O6/c10-1-7(13)16-4-6(18-9(15)3-12)5-17-8(14)2-11/h6H,1-5H2

HIDE SMILES / InChI

Molecular Formula C9H11Br3O6
Molecular Weight 454.892
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 19:45:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:45:12 GMT 2025
Record UNII
GDQ2ZS4CG8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AI3-30211
Preferred Name English
1,2,3-Propanetriyl tris(bromoacetate)
Systematic Name English
NSC-20005
Code English
1,1?,1??-(1,2,3-Propanetriyl) tris(2-bromoacetate)
Systematic Name English
2,3-Bis[(2-bromoacetyl)oxy]propyl 2-bromoacetate
Systematic Name English
Acetic acid, 2-bromo-, 1,1?,1??-(1,2,3-propanetriyl) ester
Systematic Name English
Acetic acid, bromo-, 1,2,3-propanetriyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
GDQ2ZS4CG8
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY
CAS
64503-08-8
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
264-927-4
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID60214762
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY
NSC
20005
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY
PUBCHEM
95135
Created by admin on Tue Apr 01 19:45:12 GMT 2025 , Edited by admin on Tue Apr 01 19:45:12 GMT 2025
PRIMARY