Ethyl 4-Ethynylbenzoate - CAS 10602-03-6

Catalog:	BB001757
Product Name:	Ethyl 4-Ethynylbenzoate
CAS:	10602-03-6
Synonyms:	4-ethynylbenzoic acid ethyl ester; ethyl 4-ethynylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-ethynylbenzoate
Description:	Ethyl 4-Ethynylbenzoate (CAS# 10602-03-6) is a useful research chemical.
Molecular Weight:	174.20
Molecular Formula:	C11H10O2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)C#C
InChI:	InChI=1S/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
InChI Key:	CKAGLAFXBLZHAS-UHFFFAOYSA-N
Boiling Point:	257.092 °C at 760 mmHg
Density:	1.088 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.84460

Publication Number	Title	Priority Date
CN-111777582-A	2-fluoroalkyl-3-alkynyl substituted naphthofuran compound and preparation method thereof	20200804
US-2021052586-A1	Compounds and methods for treating oxalate-related diseases	20190822
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JP-2020125460-A	Method for producing stereoregular substituted polyacetylene having a substituent at the terminal	20190131
US-2019192668-A1	Irak degraders and uses thereof	20171226

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.068079557
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.068079557
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9