CAS No.306934-95-2,5-PHENYL-2-THIENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	306934-95-2
Name:	5-PHENYL-2-THIENYLBORONIC ACID
Article Data:	11

Formula:	C₁₀H₉BO₂S
Molecular Weight:	204.057
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)-;
Density:	1.29 g/cm³
Melting Point:	140 °C
Boiling Point:	412.9 °C at 760 mmHg
Flash Point:	203.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	68.70000
LogP:	1.09490

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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