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

Details

Stereochemistry MIXED
Molecular Formula C15H27Br6O4P
Molecular Weight 781.77
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIS(3-METHYL-2,3-DIBROMOBUTYL)PHOSPHATE

SMILES

CC(C)(Br)C(Br)COP(=O)(OCC(Br)C(C)(C)Br)OCC(Br)C(C)(C)Br

InChI

InChIKey=JZVSPOUYGLZKQW-UHFFFAOYSA-N
InChI=1S/C15H27Br6O4P/c1-13(2,19)10(16)7-23-26(22,24-8-11(17)14(3,4)20)25-9-12(18)15(5,6)21/h10-12H,7-9H2,1-6H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-BUTANOL, 2,3-DIBROMO-3-METHYL-, PHOSPHATE (3:1)
Preferred Name English
TRIS(3-METHYL-2,3-DIBROMOBUTYL)PHOSPHATE
Systematic Name English
TRIS(2,3-DIBROMO-3,3-DIMETHYLPROPYL) PHOSPHATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40920556
Created by admin on Mon Mar 31 22:12:49 GMT 2025 , Edited by admin on Mon Mar 31 22:12:49 GMT 2025
PRIMARY
PUBCHEM
163864
Created by admin on Mon Mar 31 22:12:49 GMT 2025 , Edited by admin on Mon Mar 31 22:12:49 GMT 2025
PRIMARY
FDA UNII
YG33A93TYX
Created by admin on Mon Mar 31 22:12:49 GMT 2025 , Edited by admin on Mon Mar 31 22:12:49 GMT 2025
PRIMARY
CAS
111712-48-2
Created by admin on Mon Mar 31 22:12:49 GMT 2025 , Edited by admin on Mon Mar 31 22:12:49 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966