2-Bromo-1,3-diphenylpropane-1,3-dione - CAS 728-84-7
Catalog: |
BB034716 |
Product Name: |
2-Bromo-1,3-diphenylpropane-1,3-dione |
CAS: |
728-84-7 |
Synonyms: |
2-bromo-1,3-diphenylpropane-1,3-dione |
IUPAC Name: | 2-bromo-1,3-diphenylpropane-1,3-dione |
Description: | 2-Bromo-1,3-diphenylpropane-1,3-dione (CAS# 728-84-7) is a useful research chemical compound. |
Molecular Weight: | 303.15 |
Molecular Formula: | C15H11BrO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)Br |
InChI: | InChI=1S/C15H11BrO2/c16-13(14(17)11-7-3-1-4-8-11)15(18)12-9-5-2-6-10-12/h1-10,13H |
InChI Key: | BYAJHZYXPBREEK-UHFFFAOYSA-N |
Boiling Point: | 403.4 ℃ at 760 mmHg |
Density: | 1.44 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00020687 |
LogP: | 3.51570 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021147818-A1 | 5-ht2a receptor antagonist and application thereof in treating central nervous system diseases | 20200121 |
CN-111116653-A | Preparation method of pyrazole-triazole phosphine compound | 20200102 |
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PMID | Publication Date | Title | Journal |
21581407 | 20081126 | 2-Bromo-1,3-diphenyl-propan-1,3-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.99424 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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