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183658-27-7 | Benzoic acid, 2,3,4,5-tetrabromo-, 2-ethylhexyl ester
CAS No: 183658-27-7 Catalog No: AG0027S2 MDL No:
Product Description
Catalog Number:
AG0027S2
Chemical Name:
Benzoic acid, 2,3,4,5-tetrabromo-, 2-ethylhexyl ester
CAS Number:
183658-27-7
Molecular Formula:
C15H18Br4O2
Molecular Weight:
549.9182
IUPAC Name:
2-ethylhexyl 2,3,4,5-tetrabromobenzoate
InChI:
InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3
InChI Key:
HVDXCGSGEQKWGB-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1cc(Br)c(c(c1Br)Br)Br)CC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.8g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
549.923g/mol
Monoisotopic Mass:
545.804g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Literature
| Title | Journal |
|---|---|
| Effects of food-borne exposure of juvenile rainbow trout (Oncorhynchus mykiss) to emerging brominated flame retardants 1,2-bis(2,4,6-tribromophenoxy)ethane and 2-ethylhexyl-2,3,4,5-tetrabromobenzoate. | Aquatic toxicology (Amsterdam, Netherlands) 20170501 |
| New brominated flame retardants and their metabolites as activators of the pregnane X receptor. | Toxicology letters 20160930 |
| Characterizing the peroxisome proliferator-activated receptor (PPARγ) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust. | Environmental health perspectives 20150201 |
| A mixture of the novel brominated flame retardants TBPH and TBB affects fecundity and transcript profiles of the HPGL-axis in Japanese medaka. | Aquatic toxicology (Amsterdam, Netherlands) 20150101 |
| Species specific differences in the in vitro metabolism of the flame retardant mixture, Firemaster® BZ-54. | Aquatic toxicology (Amsterdam, Netherlands) 20121115 |
| Novel flame retardants in urban-feeding ring-billed gulls from the St. Lawrence River, Canada. | Environmental science & technology 20120904 |
| In vitro metabolism of the brominated flame retardants 2-ethylhexyl-2,3,4,5-tetrabromobenzoate (TBB) and bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate (TBPH) in human and rat tissues. | Chemical research in toxicology 20120716 |
| 2-Ethylhexyl tetrabromobenzoate and bis(2-ethylhexyl) tetrabromophthalate flame retardants in the Great Lakes atmosphere. | Environmental science & technology 20120103 |
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