3,4-Dichlorobenzaldehyde - CAS 6287-38-3

Name: 3,4-Dichlorobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031860
Product Name:	3,4-Dichlorobenzaldehyde
CAS:	6287-38-3
Synonyms:	3,4-dichlorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3,4-dichlorobenzaldehyde
Description:	3,4-Dichlorobenzaldehyde was used to design and prepare chalcone derivatives as potential antitumor agents, anti-inflammatory and cancer chemopreventive agents.
Molecular Weight:	175.01
Molecular Formula:	C7H4Cl2O
Canonical SMILES:	C1=CC(=C(C=C1C=O)Cl)Cl
InChI:	InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChI Key:	ZWUSBSHBFFPRNE-UHFFFAOYSA-N
Boiling Point:	247-248 °C
Melting Point:	106 to 111 °F
Flash Point:	greater than 235 °F
Density:	1.4 g/cm³
Appearance:	White crystalline solid or chunky powder.
MDL:	MFCD00003351
LogP:	2.80590

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride

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GHS Hazard Statement:	H314 (94.12%): 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

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PMID	Publication Date	Title	Journal
23007535	20121001	Planarity of benzoylhydrazine-dithiocarbazoate tuberculostatics. I. N'-Methyl-substituted 3,4-dichlorobenzoyl monoesters	Acta crystallographica. Section C, Crystal structure communications
22219893	20111101	2-(3,4-Dichloro-phen-yl)-4-phenyl-benzo[h]quinoline	Acta crystallographica. Section E, Structure reports online
21275055	20110207	Synthesis and evaluation of indatraline-based inhibitors for trypanothione reductase	ChemMedChem
21577807	20090905	(E)-N'-(3,4-Dichloro-benzyl-idene)nicotino-hydrazide monohydrate	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

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:	2.9