3,4-Dimethoxybenzoyl chloride - CAS 3535-37-3
Catalog: |
BB022618 |
Product Name: |
3,4-Dimethoxybenzoyl chloride |
CAS: |
3535-37-3 |
Synonyms: |
3,4-dimethoxybenzoyl chloride |
IUPAC Name: | 3,4-dimethoxybenzoyl chloride |
Description: | 3,4-Dimethoxybenzoyl chloride (CAS# 3535-37-3) is a benzoyl chloride derivative used in the preparation of a variety of biologically active compounds such as bronchodilators. |
Molecular Weight: | 200.62 |
Molecular Formula: | C9H9ClO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)Cl)OC |
InChI: | InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3 |
InChI Key: | VIOBGCWEHLRBEP-UHFFFAOYSA-N |
Boiling Point: | 298.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.224 g/cm3 |
Appearance: | Off-white to grey crystals, flakes or chunks |
MDL: | MFCD00000674 |
LogP: | 2.08280 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214587-A | Transparent, antibacterial organic glass and its manufacturing method | 20210601 |
CN-112390751-A | Toll-like receptor-7 small molecule inhibitor and preparation method thereof | 20201105 |
CN-111693633-A | Method for detecting 3,4-dimethoxy benzoyl chloride in itopride hydrochloride | 20200729 |
WO-2021019071-A1 | Aminothiolester compounds and uses thereof | 20190731 |
EP-3833657-A1 | Aminothiolester compounds and uses thereof | 20190731 |
PMID | Publication Date | Title | Journal |
22457552 | 20110501 | Identification of Forced Degradation Products of Itopride by LC-PDA and LC-MS | Indian journal of pharmaceutical sciences |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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