Ethyl 4-Chlorobenzoylformate - CAS 34966-48-8

Catalog:	BB022376
Product Name:	Ethyl 4-Chlorobenzoylformate
CAS:	34966-48-8
Synonyms:	2-(4-chlorophenyl)-2-oxoacetic acid ethyl ester; ethyl 2-(4-chlorophenyl)-2-oxoacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4-chlorophenyl)-2-oxoacetate
Description:	Ethyl 4-Chlorobenzoylformate (CAS# 34966-48-8) is a useful research chemical.
Molecular Weight:	212.63
Molecular Formula:	C10H9ClO3
Canonical SMILES:	CCOC(=O)C(=O)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChI Key:	BIELZWDKOJZMOG-UHFFFAOYSA-N
Boiling Point:	305.1 °C at 760 mmHg
Density:	1.255 g/cm³
Appearance:	Liquid
MDL:	MFCD01319615
LogP:	2.08580

Publication Number	Title	Priority Date
CN-110028407-B	Method for preparing spiro [ cyclopropane-1, 2 ' -indene ] -1 ', 3 ' -diketone compound	20190516
WO-2020209576-A1	Pharmaceutical composition for prevention or treatment of spinal cord injury or spinal stenosis	20190409
KR-20200119204-A	Pharmaceutical composition for prevention or treatment of spinal cord injury or spinal stenosis	20190409
WO-2020160010-A1	Compounds and methods for the treatment of cystic fibrosis	20190128
CA-3024938-A1	Green electrochemical hydrogenation of unsaturated compounds	20181122

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

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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

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0240218
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.0240218
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7