Ethyl 2-(4-Cyanophenyl)acetate - CAS 1528-41-2

Catalog:	BB010822
Product Name:	Ethyl 2-(4-Cyanophenyl)acetate
CAS:	1528-41-2
Synonyms:	2-(4-cyanophenyl)acetic acid ethyl ester; ethyl 2-(4-cyanophenyl)acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-(4-cyanophenyl)acetate
Description:	Ethyl 2-(4-Cyanophenyl)acetate (CAS# 1528-41-2) is a useful research chemical.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CCOC(=O)CC1=CC=C(C=C1)C#N
InChI:	InChI=1S/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3
InChI Key:	DFEWKWBIPMKGFG-UHFFFAOYSA-N
Boiling Point:	304.7 °C at 760 mmHg
Density:	1.11 g/cm³
MDL:	MFCD09953133
LogP:	1.66388

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021011876-A2	Modulators of excitatory amino acid transporters and methods using same	20190718
EA-038420-B1	POSITIVE ALLOSTERIC MODULATORS OF MUSCARINE ACETYLCHOLINE RECEPTOR M4	20170314
AU-2017281228-A1	Positive allosteric modulators of the muscarinic acetylcholine receptor M4	20160622
CA-3026578-A1	Positive allosteric modulators of the muscarinic acetylcholine receptor m4	20160622

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2