Ethyl 4-(5-formyl-2-furyl)benzoate - CAS 19247-87-1

Catalog:	BB047212
Product Name:	Ethyl 4-(5-formyl-2-furyl)benzoate
CAS:	19247-87-1
Synonyms:	4-(5-Formyl-furan-2-yl)-benzoic acid ethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 4-(5-formylfuran-2-yl)benzoate
Description:	Ethyl 4-(5-formyl-2-furyl)benzoate (CAS# 19247-87-1 ) is a useful research chemical.
Molecular Weight:	244.24
Molecular Formula:	C14H12O4
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
InChI:	InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChI Key:	UWLKFGFYBKJASW-UHFFFAOYSA-N
Boiling Point:	404.7±40.0 °C (Predicted)
Melting Point:	113-115 °C

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Furans

[438221-54-6]
5-[(3-Bromophenoxy)methyl]furan-2-carbaldehyde
[438220-93-0]
5-[(Pentachlorophenoxy)methyl]-2-furaldehyde
[937599-96-7]
Ethyl {[4-(2-furyl)pyrimidin-2-YL]thio}acetate
[676643-01-9]
Ethyl 7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
[61928-41-4]
3-(2-Furyl)-2-pyrazolin-5-one
[287917-54-8]
3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one

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:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.07355886
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.07355886
Rotatable Bond Count:	5
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7