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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9BrO
Molecular Weight 249.103
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BROMODIPHENYL ETHER

SMILES

BrC1=CC(OC2=CC=CC=C2)=CC=C1

InChI

InChIKey=AHDAKFFMKLQPTD-UHFFFAOYSA-N
InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H

HIDE SMILES / InChI

Molecular Formula C12H9BrO
Molecular Weight 249.103
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Gas-phase reactions of brominated diphenyl ethers with OH radicals.
2006-09-21
A gas chromatography/high-resolution mass spectrometry (GC/HRMS) method for determination of polybrominated diphenyl ethers in fish.
2001-09
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:27:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:27:37 GMT 2025
Record UNII
3W9N49713J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-BROMODIPHENYL ETHER
Common Name English
PBDE 2
Preferred Name English
NSC-57095
Code English
BENZENE, 1-BROMO-3-PHENOXY-
Systematic Name English
Code System Code Type Description
CAS
6876-00-2
Created by admin on Mon Mar 31 23:27:37 GMT 2025 , Edited by admin on Mon Mar 31 23:27:37 GMT 2025
PRIMARY
FDA UNII
3W9N49713J
Created by admin on Mon Mar 31 23:27:37 GMT 2025 , Edited by admin on Mon Mar 31 23:27:37 GMT 2025
PRIMARY
PUBCHEM
96165
Created by admin on Mon Mar 31 23:27:37 GMT 2025 , Edited by admin on Mon Mar 31 23:27:37 GMT 2025
PRIMARY
NSC
57095
Created by admin on Mon Mar 31 23:27:37 GMT 2025 , Edited by admin on Mon Mar 31 23:27:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID9074773
Created by admin on Mon Mar 31 23:27:37 GMT 2025 , Edited by admin on Mon Mar 31 23:27:37 GMT 2025
PRIMARY