2,4-Dimethoxybenzoyl chloride - CAS 39828-35-8

Catalog:	BB024150
Product Name:	2,4-Dimethoxybenzoyl chloride
CAS:	39828-35-8
Synonyms:	2,4-dimethoxybenzoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,4-dimethoxybenzoyl chloride
Description:	2,4-Dimethoxybenzoyl chloride (CAS# 39828-35-8 ) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	COC1=CC(=C(C=C1)C(=O)Cl)OC
InChI:	InChI=1S/C9H9ClO3/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
InChI Key:	KVIUXRJCBBXEGJ-UHFFFAOYSA-N
Boiling Point:	306.7 ℃ at 760 mmHg
Melting Point:	58 ℃
Purity:	95 %
Density:	1.224 g/cm³
Appearance:	Beige to light brown powder
MDL:	MFCD00017527
LogP:	2.08280

Publication Number	Title	Priority Date
CN-112390751-A	Toll-like receptor-7 small molecule inhibitor and preparation method thereof	20201105
CN-110498792-B	Application of paclobutrazol and analogues thereof in wheat lodging resistance	20190925
FR-3097862-A1	NEW METALLIC OR HETEROMETALLIC COMPLEXES WITH ANTI-CANCER PROPERTIES	20190628
WO-2020033944-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810
EP-3833352-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810

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[87-88-7]
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[1006443-01-1]
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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