Ethyl 3,4-Dichlorobenzoylformate - CAS 34966-52-4

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

Catalog:	BB022377
Product Name:	Ethyl 3,4-Dichlorobenzoylformate
CAS:	34966-52-4
Synonyms:	2-(3,4-dichlorophenyl)-2-oxoacetic acid ethyl ester; ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(3,4-dichlorophenyl)-2-oxoacetate
Description:	Ethyl 3,4-Dichlorobenzoylformate (CAS# 34966-52-4) is a useful research chemical.
Molecular Weight:	247.07
Molecular Formula:	C10H8Cl2O3
Canonical SMILES:	CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)Cl
InChI:	InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChI Key:	NWUGRKGSCYOUFF-UHFFFAOYSA-N
Boiling Point:	350.4 °C at 760 mmHg
Density:	1.362 g/cm³
MDL:	MFCD01934864
LogP:	2.73920

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
TW-201323381-A	Novel TRPV3 regulator	20111024
US-2013131036-A1	Novel trpv3 modulators	20111024
US-8772500-B2	TRPV3 modulators	20111024
WO-2013062966-A2	Novel trpv3 modulators	20111024
WO-2012008508-A1	Heterocyclic ring compound	20100714

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.9850495
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.9850495
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4