2-Bromo-4'-hydroxyacetophenone - CAS 2491-38-5
Catalog: |
BB018662 |
Product Name: |
2-Bromo-4'-hydroxyacetophenone |
CAS: |
2491-38-5 |
Synonyms: |
2-bromo-1-(4-hydroxyphenyl)ethanone; 2-bromo-1-(4-hydroxyphenyl)ethanone |
IUPAC Name: | 2-bromo-1-(4-hydroxyphenyl)ethanone |
Description: | PTP Inhibitor I is a cell-permeable inhibitor of protein tyrosine phosphatase (PTP), a group of enzymes that remove phosphate groups from phosphorylated tyrosine residues on proteins. |
Molecular Weight: | 215.04 |
Molecular Formula: | C8H7BrO2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CBr)O |
InChI: | InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2 |
InChI Key: | LJYOFQHKEWTQRH-UHFFFAOYSA-N |
Boiling Point: | 338.7 °C at 760 mmHg |
Purity: | > 98 % |
Density: | 1.622 g/cm3 |
Appearance: | Crystalline solid |
LogP: | 1.96980 |
Vapor Pressure: | 0.000011 [mmHg] |
GHS Hazard Statement: | H302 (95.24%): 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-111533696-A | Benzimidazole derivative, benzothiophene derivative, and preparation method and application thereof | 20200526 |
CN-111481543-A | Use of NR2B negative allosteric modulators in combination with GABA receptor modulators for the preparation of a medicament for the treatment of Alzheimer's disease | 20200521 |
CN-111548280-A | Fluorescent probe for rapidly identifying mercury and methyl mercury as well as preparation method and application thereof | 20200507 |
CN-111548280-B | Fluorescent probe for rapidly identifying mercury and methyl mercury as well as preparation method and application thereof | 20200507 |
CN-111362972-A | Benzimidazole [2,1-b ] thiazole compound and application thereof | 20200428 |
PMID | Publication Date | Title | Journal |
22444682 | 20120415 | Preparation and photophysical properties of a caged kynurenine | Bioorganic & medicinal chemistry letters |
21578427 | 20091023 | 2-Bromo-1-(4-hydroxy-phen-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
14744423 | 20030301 | Allergic contact dermatitis from a paper mill slimicide containing 2-bromo-4'-hydroxyacetophenone | American journal of contact dermatitis : official journal of the American Contact Dermatitis Society |
12372498 | 20021104 | alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship | Bioorganic & medicinal chemistry letters |
12105899 | 20020717 | Catalytic subunit of protein kinase A caged at the activating phosphothreonine | Journal of the American Chemical Society |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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