Basic Information | Post buying leads | Suppliers |
Name |
2-Furancarboxylic acid,5-(2-phenylethynyl)- |
EINECS | N/A |
CAS No. | 130423-83-5 | Density | 1.33 g/cm3 |
PSA | 50.44000 | LogP | 2.37760 |
Solubility | N/A | Melting Point |
212 °C |
Formula | C13H8O3 | Boiling Point | 411 °C at 760 mmHg |
Molecular Weight | 212.205 | Flash Point | 202.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Furancarboxylicacid, 5-(phenylethynyl)- (9CI);5-(2-Phenylethynyl)-2-furoic acid;5-(2-Phenylethynyl)furan-2-carboxylic acid; |
The 2-Furancarboxylic acid,5-(2-phenylethynyl)-, with CAS registry number 130423-83-5, belongs to the following product categories: (1)Carboxylic Acids; (2)Furans, Benzofurans & Dihydrobenzofurans. It has the systematic name of 5-(phenylethynyl)furan-2-carboxylic acid. And the chemical formula of this chemical is C13H8O3.
Physical properties of 2-Furancarboxylic acid,5-(2-phenylethynyl)-: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 57.49 cm3; (15)Molar Volume: 159.3 cm3; (16)Polarizability: 22.79×10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 69.95 kJ/mol; (21)Boiling Point: 411 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Furancarboxylic acid,5-(2-phenylethynyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc(C#Cc1ccccc1)cc2
(2)InChI: InChI=1/C13H8O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
(3)InChIKey: HFYACYZCOUYIFR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H8O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
(5)Std. InChIKey: HFYACYZCOUYIFR-UHFFFAOYSA-N