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 ℃ 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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

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