3-Methoxybenzoyl chloride - CAS 1711-05-3
Catalog: |
BB012717 |
Product Name: |
3-Methoxybenzoyl chloride |
CAS: |
1711-05-3 |
Synonyms: |
3-methoxybenzoyl chloride |
IUPAC Name: | 3-methoxybenzoyl chloride |
Description: | 3-Methoxybenzoyl chloride (CAS# 1711-05-3) is used in the synthesis of 2-arylbenzofuran-based molecules that act against Alzheimer's disease, combatting symptoms. In addition, it aids in the optimization of dihydropyrrolopyrimidine inhibitors against PI3K (phosphoinositide 3-kinase) resulting in tumor growth inhibition. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=O)Cl |
InChI: | InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3 |
InChI Key: | RUQIUASLAXJZIE-UHFFFAOYSA-N |
Boiling Point: | 123-125 °C |
Purity: | 95 % |
Density: | 1.214 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
MDL: | MFCD00000673 |
LogP: | 2.07420 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22242164 | 20120101 | Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) | PloS one |
22090990 | 20110801 | 3-(3-Meth-oxy-benzo-yl)-1,1-diphenyl-thio-urea | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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