Tribromobisphenol A - CAS 6386-73-8
Catalog: |
BB050408 |
Product Name: |
Tribromobisphenol A |
CAS: |
6386-73-8 |
Synonyms: |
TribromobisphenolA |
IUPAC Name: | 2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol |
Description: | Tribromobisphenol A (CAS# 6386-73-8 ) is a useful research chemical. |
Molecular Weight: | 464.97 |
Molecular Formula: | C15H13Br3O2 |
Canonical SMILES: | CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br |
InChI: | InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3 |
InChI Key: | WYBOEVJIVYIEJL-UHFFFAOYSA-N |
Density: | 1.873 g/cu cm |
GHS Hazard Statement: | H351 (92.86%): Suspected of causing cancer [Warning Carcinogenicity]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H411 (92.86%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P203, P273, P280, P318, P391, P405, and P501 |
Signal Word: | Warning |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 463.84452 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.84657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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