1,1,1,3,3,3-Hexabromoacetone - CAS 23162-64-3
Catalog: |
BB017961 |
Product Name: |
1,1,1,3,3,3-Hexabromoacetone |
CAS: |
23162-64-3 |
Synonyms: |
1,1,1,3,3,3-hexabromopropan-2-one |
IUPAC Name: | 1,1,1,3,3,3-hexabromopropan-2-one |
Description: | 1,1,1,3,3,3-Hexabromoacetone (CAS# 23162-64-3) is used in preparation of benzyl bromides from benzyl alcohol using hexabromoacetone/triphenylphosphine: an alternative path to drug intermediates. |
Molecular Weight: | 531.46 |
Molecular Formula: | C3Br6O |
Canonical SMILES: | C(=O)(C(Br)(Br)Br)C(Br)(Br)Br |
InChI: | InChI=1S/C3Br6O/c4-2(5,6)1(10)3(7,8)9 |
InChI Key: | IHAWQAMKUMLDIT-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD11656171 |
LogP: | 4.23250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
JP-2020083803-A | Method for producing bisphenol compound and solid oxide catalyst | 20181121 |
WO-2020054657-A1 | Novel heteroaromatic amide derivative and medicine containing same | 20180910 |
WO-2020054670-A1 | Novel heteroaromatic amide derivative and medicine containing same | 20180910 |
TW-202031653-A | Novel heterocyclic aromatic amide derivatives and medicines containing them | 20180910 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 531.49879 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 525.50494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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