4-Cyclopropyl-benzeneboronic acid supplier

Name
4-Cyclopropyl-benzeneboronic acid
EINECS
CAS No. 302333-80-8
Article Data11
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₉H₁₁BO₂
Boiling Point 320.3 °C at 760 mmHg
Molecular Weight 161.996
Flash Point 147.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (4-cyclopropylphenyl)- (9CI);4-Cyclopropylphenylboronic acid;
PSA 40.46000
LogP 0.24380

4-Cyclopropyl-benzeneboronic acid Specification

The IUPAC name of 4-Cyclopropyl-benzeneboronic acid is (4-cyclopropylphenyl)boronic acid. With the CAS registry number 302333-80-8, it is also named as Boronic acid,B-(4-cyclopropylphenyl)-. In addition, its molecular formula is C₉H₁₁BO₂ and molecular weight is 161.9934.

The other characteristics of 4-Cyclopropyl-benzeneboronic acid can be summarized as: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Rotatable Bond Count: 2; (7)Exact Mass: 162.08521; (8)MonoIsotopic Mass: 162.08521; (9)Topological Polar Surface Area: 40.5; (10)Heavy Atom Count: 12; (11)Complexity: 149; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 45.11 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 17.88×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 59.33 kJ/mol; (21)Boiling Point: 320.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c1ccc(cc1)C2CC2
(2)InChI: InChI=1/C9H11BO2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7,11-12H,1-2H2
(3)InChIKey: YNLGFXOBRXSMJZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H11BO2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7,11-12H,1-2H2
(5)Std. InChIKey: YNLGFXOBRXSMJZ-UHFFFAOYSA-N

Product Name

4-Cyclopropyl-benzeneboronic acid

4-Cyclopropyl-benzeneboronic acid Specification

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