-
Name
5-PHENYL-2-THIENYLBORONIC ACID
- EINECS
- CAS No. 306934-95-2
- Article Data11
- CAS DataBase
- Density 1.29 g/cm3
- Solubility
- Melting Point 140 °C
- Formula C10H9BO2S
- Boiling Point 412.9 °C at 760 mmHg
- Molecular Weight 204.057
- Flash Point 203.5 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Boronicacid, (5-phenyl-2-thienyl)- (9CI);(5-Phenylthien-2-yl)boronic acid;2-Phenyl-5-thiopheneboronic acid;(5-phenylthiophen-2-yl)boronic acid;boronic acid, B-(5-phenyl-2-thienyl)-;
- PSA 68.70000
- LogP 1.09490
Boronic acid,B-(5-phenyl-2-thienyl)- Specification
The Boronic acid,B-(5-phenyl-2-thienyl)-, with the CAS registry number 306934-95-2, has the systematic name of (5-phenylthiophen-2-yl)boronic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H9BO2S.
The characteristics of Boronic acid,B-(5-phenyl-2-thienyl)- are as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 146.08; (6)ACD/BCF (pH 7.4): 135.29; (7)ACD/KOC (pH 5.5): 1232.81; (8)ACD/KOC (pH 7.4): 1141.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.7 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 56.13 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 22.25×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c2sc(c1ccccc1)cc2
(2)InChI: InChI=1/C10H9BO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7,12-13H
(3)InChIKey: RBSMKSPHBJFXCJ-UHFFFAOYAA
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
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- Boronic acid, 2,5-benzofurandiylbis-
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