(3-Phenylisoxazol-5-yl)boronic acid supplier

Name
3-PHENYLISOXAZOLE-5-BORONIC ACID
EINECS
CAS No. 5868-54-2
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₉H₈BNO₃
Boiling Point 455.4 °C at 760 mmHg
Molecular Weight 188.978
Flash Point 229.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Isoxazoleboronicacid, 3-phenyl- (7CI,8CI);Boronic acid, (3-phenyl-5-isoxazolyl)- (9CI);(3-Phenylisoxazol-5-yl)boronic acid;
PSA 66.49000
LogP 0.02140

(3-Phenylisoxazol-5-yl)boronic acid Specification

This chemical is called (3-Phenylisoxazol-5-yl)boronic acid, and it can also be named as Boronic acid,B-(3-phenyl-5-isoxazolyl)-. With the molecular formula of C₉H₈BNO₃, its molecular weight is 188.98. The CAS registry number of this chemical is 5868-54-2.

Other characteristics of the (3-Phenylisoxazol-5-yl)boronic acid can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 86.79; (8)ACD/KOC (pH 7.4): 28.65; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.49 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 48.27 cm³; (15)Molar Volume: 142.3 cm³; (16)Polarizability: 19.13×10^-24cm³; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 229.2 °C; (20)Enthalpy of Vaporization: 75.36 kJ/mol; (21)Boiling Point: 455.4 °C at 760 mmHg; (22)Vapour Pressure: 4.38E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1oc(cc1c2ccccc2)B(O)O
2.InChI: InChI=1/C9H8BNO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6,12-13H
3.InChIKey: VEJIQHRMIYFYPS-UHFFFAOYAH

Product Name

3-PHENYLISOXAZOLE-5-BORONIC ACID

(3-Phenylisoxazol-5-yl)boronic acid Specification

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