(3,4-Dimethoxyphenyl)acetyl chloride - CAS 10313-60-7
Catalog: |
BB001024 |
Product Name: |
(3,4-Dimethoxyphenyl)acetyl chloride |
CAS: |
10313-60-7 |
Synonyms: |
2-(3,4-dimethoxyphenyl)acetyl chloride |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)acetyl chloride |
Description: | (3,4-Dimethoxyphenyl)acetyl chloride (CAS# 10313-60-7) is used as a reactant in the cycloaddition reaction with tetramethoxyethylene in the preparation of novel unsymmetrical squaraines. |
Molecular Weight: | 214.65 |
Molecular Formula: | C10H11ClO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)CC(=O)Cl)OC |
InChI: | InChI=1S/C10H11ClO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3 |
InChI Key: | QBJIMTPENIGDOG-UHFFFAOYSA-N |
Boiling Point: | 118-119 ℃ / 0.2 mmHg (lit.) |
Density: | 1.245 g/mL at 25 ℃ (lit.) |
Appearance: | Yellow to orange to brown solid or liquid |
MDL: | MFCD00009674 |
LogP: | 2.01170 |
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 |
Publication Number | Title | Priority Date |
WO-2019202611-A1 | An improved process for the synthesis of ivabradine and its pharmaceutically acceptable salts | 20180421 |
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PMID | Publication Date | Title | Journal |
21201907 | 20080206 | N-(3,4-Difluoro-phen-yl)-2-(3,4-dimethoxy-phen-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0396719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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