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Name
THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER-5-BORIC ACID
- EINECS
- CAS No. 876189-21-8
- Density 1.397 g/cm3
- Solubility
- Melting Point
- Formula C6H7BO4S
- Boiling Point 386.725 °C at 760 mmHg
- Molecular Weight 185.99
- Flash Point 187.685 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- 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
- PSA 95.00000
- LogP -0.78550
2-Thiophenecarboxylicacid, 5-borono-, 2-methyl ester Specification
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
Related Products
- 2-Thiophenecarboxylicacid, 3-(acetylamino)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-[(2-chloroacetyl)amino]-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(1-methylethyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)-
- 2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, ethyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(4-fluorophenyl)-, methyl ester
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