Boronic acid, B-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]- supplier

Name
2-(3-BORONOPHENYL)-5-METHYL-1,3,4-OXADIAZOLE
EINECS
CAS No. 913836-04-1
Density 1.34g/cm³
Solubility
Melting Point 160-162
Formula C₉H₉BN₂O₃
Boiling Point 447.8 °C at 760 mmHg
Molecular Weight 203.993
Flash Point 224.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-(9CI);
PSA 79.38000
LogP -0.27520

Boronic acid, B-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]- Specification

The Boronic acid, B-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-, with CAS registry number 913836-04-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid. And the chemical formula of this chemical is C₉H₉BN₂O₃.

Physical properties of Boronic acid, B-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 79.38 Å²; (6)Index of Refraction: 1.585; (7)Molar Refractivity: 50.69 cm³; (8)Molar Volume: 151.1 cm³; (9)Polarizability: 20.09×10^-24cm³; (10)Surface Tension: 64.5 dyne/cm; (11)Density: 1.34 g/cm³; (12)Flash Point: 224.7 °C; (13)Enthalpy of Vaporization: 74.43 kJ/mol; (14)Boiling Point: 447.8 °C at 760 mmHg; (15)Vapour Pressure: 8.34E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nnc(o1)c2cc(ccc2)B(O)O
(2)InChI: InChI=1/C9H9BN2O3/c1-6-11-12-9(15-6)7-3-2-4-8(5-7)10(13)14/h2-5,13-14H,1H3
(3)InChIKey: GXJXMCCAPBQQHR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9BN2O3/c1-6-11-12-9(15-6)7-3-2-4-8(5-7)10(13)14/h2-5,13-14H,1H3
(5)Std. InChIKey: GXJXMCCAPBQQHR-UHFFFAOYSA-N

Product Name

2-(3-BORONOPHENYL)-5-METHYL-1,3,4-OXADIAZOLE

Boronic acid, B-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]- Specification

Related Products

Hot Products