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

[91125-43-8]
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[17746-05-3]
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[1006443-01-1]
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[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Furans

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[827594-60-5]
Ethyl 5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
[676643-01-9]
Ethyl 7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
[6118-51-0]
exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride
[1255717-94-2]
(5-(Furan-2-yl)isoxazol-3-yl)methanamine hydrochloride
[1431963-89-1]
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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:	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