2,3-Dichlorobenzaldehyde - CAS 6334-18-5

Name: 2,3-Dichlorobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2,3-dichlorobenzaldehyde
Description:	2,3-Dichlorobenzaldehyde (CAS# 6334-18-5) is part of a group of Benzaldehyde (B119740) derivatives that exhibit activity against Mycobacterium tuberculosis, the bacteria responsible for causing tuberculosis in humans. 2,3-Dichlorobenzaldehyde is also used as a reagent to synthesize (E)-2-(2-arylhydrazinyl)quinoxalines, compounds that have potent anticancer activity.
Molecular Weight:	175.01
Molecular Formula:	C7H4Cl2O
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)Cl)C=O
InChI:	InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChI Key:	LLMLNAVBOAMOEE-UHFFFAOYSA-N
Boiling Point:	242.9 °C at 760 mmHg
Purity:	> 98 %
Density:	1.4 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00010127
LogP:	2.80590

GHS Hazard Statement:	H314 (55.21%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113372268-A	4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) quinolineacetic acid metabolites	20210706
CN-113214182-A	Benzisothiazole compound and preparation method thereof	20210519
CN-113200970-A	Osthole isoxazoline derivatives, and preparation method and application thereof	20210426
CN-111875591-A	Method for catalytic synthesis of drug intermediate 3-benzo [ d ] imidazole benzopyrone derivative	20200831
CN-111662265-A	Synthetic method of 5, 6-dimethylxanthenone-4-acetic acid	20200619

PMID	Publication Date	Title	Journal
22312278	20120101	Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester	International journal of molecular sciences
21931213	20111001	Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers	Acta crystallographica. Section B, Structural science
21836977	20110701	4-[(E)-(2,3-Dichloro-benzyl-idene)amino]-phenol	Acta crystallographica. Section E, Structure reports online
21582555	20090325	(E)-3-(4-Bromo-phen-yl)-1-(3,4-dichloro-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
18160288	20080201	Synthetic study of VLA-4/VCAM-1 inhibitors: synthesis and structure-activity relationship of piperazinylphenylalanine derivatives	Bioorganic & medicinal chemistry letters

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9639201
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.9639201
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3