4-(2,4-Dichlorophenoxy)benzaldehyde - CAS 78725-51-6

Catalog:	BB036233
Product Name:	4-(2,4-Dichlorophenoxy)benzaldehyde
CAS:	78725-51-6
Synonyms:	4-(2,4-dichlorophenoxy)benzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(2,4-dichlorophenoxy)benzaldehyde
Description:	4-(2,4-Dichlorophenoxy)benzaldehyde (CAS# 78725-51-6) is a useful research chemical.
Molecular Weight:	267.11
Molecular Formula:	C13H8Cl2O2
Canonical SMILES:	C1=CC(=CC=C1C=O)OC2=C(C=C(C=C2)Cl)Cl
InChI:	InChI=1S/C13H8Cl2O2/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-8H
InChI Key:	URLOSHBYGSZBLL-UHFFFAOYSA-N
Boiling Point:	360.1 °C at 760 mmHg
Density:	1.365 g/cm³
Appearance:	White to tan powder
MDL:	MFCD08276810
LogP:	4.59820

Publication Number	Title	Priority Date
CN-110317200-B	Pyrimidinium compounds and uses thereof	20180328
US-10450292-B2	Inhibitors of bacterial RNA polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols	20151210
US-2019023682-A1	Inhibitors of bacterial rna polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols	20151210
WO-2017100645-A2	Inhibitors of bacterial rna polymerase: arylpropanoyl, arylpropenoyl, and arylcyclopropanecarboxyl phloroglucinols	20151210
US-2014121213-A1	Voltage-gated sodium channel blockers	20110706

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Related Functional Groups

Carbonyl Compounds

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, and P501
Signal Word:	Danger

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.9901349
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.9901349
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4