Basic Information | Post buying leads | Suppliers |
Name |
2-Thiophenecarboxylicacid, 5-borono-, 2-methyl ester |
EINECS | N/A |
CAS No. | 876189-21-8 | Density | 1.397 g/cm3 |
PSA | 95.00000 | LogP | -0.78550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BO4S | Boiling Point | 386.725 °C at 760 mmHg |
Molecular Weight | 185.99 | Flash Point | 187.685 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER-5-BORIC ACID;5-Methoxycarbonylthiophen-2-ylboronicacid;5- METHOXYCARBONYL-2-BORONIC ACID;Methoxycarbonylthiophene-2-boronic acid;5-Methoxycarbonylthiophene-2-boronic acid;5-Methoxycarbonyl-2-thiopheneboronic acid;Methyl 5-boronothiophene-2-carboxylate;[3-(Methoxycarbonyl)thiophen-2-yl]boronic acid |
The 2-Thiophenecarboxylicacid, 5-borono-, 2-methyl ester is an organic compound with the formula C6H7BO4S. The systematic name of this chemical is [5-(methoxycarbonyl)thiophen-2-yl]boronic acid. With the CAS registry number 876189-21-8, it is also named as Methoxycarbonylthiophene-2-boronic acid.
Physical properties about 2-Thiophenecarboxylicacid, 5-borono-, 2-methyl ester are: (1)ACD/LogP: 0.96; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 95 Å2; (6)Index of Refraction: 1.552; (7)Molar Refractivity: 42.542 cm3; (8)Molar Volume: 133.169 cm3; (9)Polarizability: 16.865×10-24cm3; (10)Surface Tension: 53.669 dyne/cm; (11)Density: 1.397 g/cm3; (12)Flash Point: 187.685 °C; (13)Enthalpy of Vaporization: 67.051 kJ/mol; (14)Boiling Point: 386.725 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sc(B(O)O)cc1
(2)InChI: InChI=1/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
(3)InChIKey: VJWFTDBWRPSNFS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3
(5)Std. InChIKey: VJWFTDBWRPSNFS-UHFFFAOYSA-N