Benzoic acid,4-(5-formyl-2-furanyl)-, ethyl ester supplier

Name
ETHYL 4-(5-FORMYL-2-FURYL)BENZOATE
EINECS
CAS No. 19247-87-1
Article Data11
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point 113-115 °C
Formula C₁₄H₁₂O₄
Boiling Point 404.7 °C at 760 mmHg
Molecular Weight 244.247
Flash Point 198.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-(5-formyl-2-furyl)-, ethyl ester (8CI);4-(5-formyl-2-furanyl)benzoicacid ethyl ester;5-(4-Carbethoxyphenyl)-2-furaldehyde;Ethyl4-(5-formylfuran-2-yl)benzoate;
PSA 56.51000
LogP 2.93580

Benzoic acid,4-(5-formyl-2-furanyl)-, ethyl ester Specification

The Benzoic acid,4-(5-formyl-2-furanyl)-, ethyl ester, with the CAS registry number 19247-87-1, is also known as 4-(5-formyl-2-furanyl)benzoicacid ethyl ester. This chemical's molecular formula is C₁₄H₁₂O₄ and molecular weight is 244.24. What's more, its systematic name is Ethyl 4-(5-formylfuran-2-yl)benzoate. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. In addition, it should be protected from light.

Physical properties of Benzoic acid,4-(5-formyl-2-furanyl)-, ethyl ester are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 408; (6)ACD/BCF (pH 7.4): 408; (7)ACD/KOC (pH 5.5): 2572.27; (8)ACD/KOC (pH 7.4): 2572.27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.51 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 66.3 cm³; (15)Molar Volume: 203.5 cm³; (16)Polarizability: 26.28×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.199 g/cm³; (19)Flash Point: 198.6 °C; (20)Enthalpy of Vaporization: 65.62 kJ/mol; (21)Boiling Point: 404.7 °C at 760 mmHg; (22)Vapour Pressure: 9.24E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
(2)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
(3)InChIKey: UWLKFGFYBKJASW-UHFFFAOYSA-N

Product Name

ETHYL 4-(5-FORMYL-2-FURYL)BENZOATE

Benzoic acid,4-(5-formyl-2-furanyl)-, ethyl ester Specification

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