Boronicacid, B-[4-(2-thienyl)phenyl]- supplier

Name
4-(2-THIENYL)PHENYLBORONIC ACID
EINECS
CAS No. 362612-66-6
Article Data1
CAS DataBase
Density 1.298 g/cm³
Solubility
Melting Point 249 °C
Formula C₁₀H₉BO₂S
Boiling Point 385.985 °C at 760 mmHg
Molecular Weight 204.057
Flash Point 187.237 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [4-(2-thienyl)phenyl]- (9CI);4-(2-Thienyl)benzeneboronic acid;[4-(2-Thienyl)phenyl]boronic acid;
PSA 68.70000
LogP 1.09490

Boronicacid, B-[4-(2-thienyl)phenyl]- Specification

The Boronicacid, B-[4-(2-thienyl)phenyl]- is an organic compound with the formula C₁₀H₉BO₂S. The systematic name of this chemical is [4-(thiophen-2-yl)phenyl]boronic acid. With the CAS registry number 362612-66-6, it is also named as 4-(2-thienyl)phenylboronic acid. The product's categories are Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids & Esters; Phenyls & Phenyl-Het.

Physical properties about Boronicacid, B-[4-(2-thienyl)phenyl]- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 146; (5)ACD/BCF (pH 7.4): 133; (6)ACD/KOC (pH 5.5): 1232; (7)ACD/KOC (pH 7.4): 1121; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 68.7 Å²; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 56.136 cm³; (14)Molar Volume: 157.261 cm³; (15)Polarizability: 22.254×10^-24cm³; (16)Surface Tension: 55.19 dyne/cm; (17)Density: 1.298 g/cm³; (18)Flash Point: 187.237 °C; (19)Enthalpy of Vaporization: 66.963 kJ/mol; (20)Boiling Point: 385.985 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2ccc(c1sccc1)cc2
(2)InChI: InChI=1/C10H9BO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7,12-13H
(3)InChIKey: DJEDGSABTJJBGN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H9BO2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7,12-13H
(5)Std. InChIKey: DJEDGSABTJJBGN-UHFFFAOYSA-N

Product Name

4-(2-THIENYL)PHENYLBORONIC ACID

Boronicacid, B-[4-(2-thienyl)phenyl]- Specification

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