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

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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

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