2-Chloro-4,6-dimethoxybenzaldehyde - CAS 82477-61-0

Catalog:	BB036841
Product Name:	2-Chloro-4,6-dimethoxybenzaldehyde
CAS:	82477-61-0
Synonyms:	2-chloro-4,6-dimethoxybenzaldehyde; 2-chloro-4,6-dimethoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4,6-dimethoxybenzaldehyde
Description:	2-Chloro-4,6-dimethoxybenzaldehyde (CAS# 82477-61-0) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	COC1=CC(=C(C(=C1)Cl)C=O)OC
InChI:	InChI=1S/C9H9ClO3/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-5H,1-2H3
InChI Key:	WNIGZICIZZIUER-UHFFFAOYSA-N
Boiling Point:	326 °C at 760 mmHg
Density:	1.245 g/cm³
MDL:	MFCD05863686
LogP:	2.16970

Publication Number	Title	Priority Date
AU-2014237862-A1	1 -hydroxy-benzooxaboroles as antiparasitic agents	20130315
AU-2014237862-B2	1 -hydroxy-benzooxaboroles as antiparasitic agents	20130315
CA-2899972-A1	1 -hydroxy-benzooxaboroles as antiparasitic agents	20130315
CN-105051048-A	1 -hydroxy-benzooxaboroles as antiparasitic agents	20130315
CN-105051048-B	The 1 hydroxy benzo oxaborol as antiparasitic	20130315

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
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