3-(5-Formylfuran-2-yl)benzoic acid - CAS 304884-54-6

Catalog:	BB049254
Product Name:	3-(5-Formylfuran-2-yl)benzoic acid
CAS:	304884-54-6
Synonyms:	3-(5-formylfuran-2-yl)benzoicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(5-formylfuran-2-yl)benzoic acid
Description:	3-(5-Formylfuran-2-yl)benzoic acid (CAS# 304884-54-6 ) is a useful research chemical.
Molecular Weight:	216.19
Molecular Formula:	C12H8O4
Canonical SMILES:	C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=O
InChI:	InChI=1S/C12H8O4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H,(H,14,15)
InChI Key:	WOAXPFPTVKBPAC-UHFFFAOYSA-N
Boiling Point:	464.8±40.0 °C (Predicted)
Melting Point:	264-266 °C
Purity:	95 %
Density:	1.336±0.06 g/cm³(Predicted)
Appearance:	Solid

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Furans

[1184060-24-9]
5-[(4-Aminophenoxy)methyl]furan-2-carboxylic acid
[438219-08-0]
5-[(4-Chlorophenoxy)methyl]furan-2-carbaldehyde
[364628-38-6]
5-[(4-Chlorophenoxy)methyl]furan-2-carbohydrazide
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1002033-85-3]
Ethyl [4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetate
[937599-96-7]
Ethyl {[4-(2-furyl)pyrimidin-2-YL]thio}acetate

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:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.04225873
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.04225873
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2