4-Bromo-1-indanone - CAS 15115-60-3
Catalog: |
BB010620 |
Product Name: |
4-Bromo-1-indanone |
CAS: |
15115-60-3 |
Synonyms: |
4-bromo-2,3-dihydroinden-1-one |
IUPAC Name: | 4-bromo-2,3-dihydroinden-1-one |
Description: | 4-Bromo-1-indanone (CAS# 15115-60-3) is used to prepare N'-indanyl-N-benzopyrazolyl ureas as TRPV1 antagonists for use as analgesics. It is also used to synthesize 1,4-dihydroindeno[1,2-c]pyrazoles as KDR kinase inhibitors. |
Molecular Weight: | 211.06 |
Molecular Formula: | C9H7BrO |
Canonical SMILES: | C1CC(=O)C2=C1C(=CC=C2)Br |
InChI: | InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2 |
InChI Key: | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
Boiling Point: | 304.1 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.608 g/cm3 |
MDL: | MFCD01719772 |
LogP: | 2.57800 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214111-A | Preparation method of 3- (2-cyanophenyl) propionic acid and 4-cyano-1-indanone | 20210430 |
CN-112574078-A | 2-sulfuryl-2, 3-dihydro-1-indanone and derivatives and synthesis method thereof | 20201214 |
CN-111704559-A | Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile | 20200630 |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2021158481-A1 | Substituted 1,1'-biphenyl compounds and methods using same | 20200203 |
PMID | Publication Date | Title | Journal |
21207961 | 20110210 | Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening | Journal of medicinal chemistry |
20180580 | 20100319 | Synthesis of a basket-shaped C56H38 hydrocarbon as a precursor toward an end-cap template for carbon [6,6]nanotubes | The Journal of organic chemistry |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.96803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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