2-Bromo-4'-methylacetophenone - CAS 619-41-0
Catalog: |
BB031342 |
Product Name: |
2-Bromo-4'-methylacetophenone |
CAS: |
619-41-0 |
Synonyms: |
2-bromo-1-(4-methylphenyl)ethanone |
IUPAC Name: | 2-bromo-1-(4-methylphenyl)ethanone |
Description: | 2-Bromo-4'-methylacetophenone (CAS# 619-41-0) is an α-bromoketone that can be used for the synthesis of 2,4-disbustituted thiazoles and synthesis of Fanetizole, an anti-inflammatory agent. |
Molecular Weight: | 213.07 |
Molecular Formula: | C9H9BrO |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)CBr |
InChI: | InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3 |
InChI Key: | KRVGXFREOJHJAX-UHFFFAOYSA-N |
Boiling Point: | 105 ℃ (0.1 torr) |
Density: | 1.416 g/cm3 |
MDL: | MFCD00000203 |
LogP: | 2.57260 |
GHS Hazard Statement: | H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004219-A | Thiazole ring-containing amide compound and preparation method and application thereof | 20210311 |
CN-111533696-A | Benzimidazole derivative, benzothiophene derivative, and preparation method and application thereof | 20200526 |
CN-111303160-A | Preparation method of substituted pyrrolopyrimidine intermediate | 20200414 |
CN-111196787-A | Citral thiazole hydrazone derivatives, and preparation method and application thereof | 20200119 |
CN-111004245-A | Pyrazole-pyrimido imidazole compound, preparation method and application thereof | 20191211 |
PMID | Publication Date | Title | Journal |
21500862 | 20110623 | Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds | Journal of medicinal chemistry |
14561081 | 20031023 | Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching | Journal of medicinal chemistry |
12856996 | 20030601 | Synthesis and antimicrobial testing of some new S-substituted-thiopyridines, thienopyridines, pyridothienopyrimidines and pyridothienotriazines | Die Pharmazie |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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