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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6Br4O
Molecular Weight 437.749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,5-TRIBROMO-2-(2-BROMOETHOXY)BENZENE

SMILES

BrCCOC1=C(Br)C=C(Br)C=C1Br

InChI

InChIKey=SSZHXDAHYXHGQY-UHFFFAOYSA-N
InChI=1S/C8H6Br4O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2

HIDE SMILES / InChI

Molecular Formula C8H6Br4O
Molecular Weight 437.749
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 17:39:21 GMT 2025
Edited
by admin
on Tue Apr 01 17:39:21 GMT 2025
Record UNII
6SMK7L852B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,5-TRIBROMO-2-(2-BROMOETHOXY)BENZENE
Systematic Name English
BENZENE, 1,3,5-TRIBROMO-2-(2-BROMOETHOXY)-
Preferred Name English
1-(2,4,6-TRIBROMOPHENOXY)-2-BROMOETHANE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID8071518
Created by admin on Tue Apr 01 17:39:21 GMT 2025 , Edited by admin on Tue Apr 01 17:39:21 GMT 2025
PRIMARY
CAS
68413-71-8
Created by admin on Tue Apr 01 17:39:21 GMT 2025 , Edited by admin on Tue Apr 01 17:39:21 GMT 2025
PRIMARY
FDA UNII
6SMK7L852B
Created by admin on Tue Apr 01 17:39:21 GMT 2025 , Edited by admin on Tue Apr 01 17:39:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
270-244-2
Created by admin on Tue Apr 01 17:39:21 GMT 2025 , Edited by admin on Tue Apr 01 17:39:21 GMT 2025
PRIMARY
PUBCHEM
94633
Created by admin on Tue Apr 01 17:39:21 GMT 2025 , Edited by admin on Tue Apr 01 17:39:21 GMT 2025
PRIMARY