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Boronic acid,B-[4-(1-methylpropyl)phenyl]-

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Name

Boronic acid,B-[4-(1-methylpropyl)phenyl]-

EINECS N/A
CAS No. 850568-56-8 Density 1.02 g/cm3
PSA 40.46000 LogP 0.87990
Solubility N/A Melting Point 96-100 °C
Formula C10H15BO2 Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 178.039 Flash Point 136 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850568-56-8 ((4-SEC-BUTYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-(1-methylpropyl)phenyl]- (9CI);

 

Boronic acid,B-[4-(1-methylpropyl)phenyl]- Specification

The Boronic acid,B-[4-(1-methylpropyl)phenyl]-, with the CAS registry number 850568-56-8, is also known as [4-(Butan-2-yl)phenyl]boronic acid. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C10H15BO2 and molecular weight is 178.04. What's more, its systematic name is called [4-(1-Methylpropyl)phenyl]boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it should keep cold.

Physical properties about Boronic acid,B-[4-(1-methylpropyl)phenyl]- are: (1) ACD/LogP: 3.46; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 18.46 Å2; (7) Index of Refraction: 1.509; (8) Molar Refractivity: 51.78 cm3; (9) Molar Volume: 173.2 cm3; (10) Surface Tension: 37.3 dyne/cm; (11) Density: 1.02 g/cm3; (12) Flash Point: 136 °C; (13) Enthalpy of Vaporization: 57.17 kJ/mol; (14) Boiling Point: 301.2 °C at 760 mmHg; (15) Vapour Pressure: 0.000473 mmHg at 25 °C; (16) Melting Point: 96-100 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(cc1)C(CC)C
(2) InChI: InChI=1/C10H15BO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8,12-13H,3H2,1-2H3
(3) InChIKey: CHSPURIZKQPJNH-UHFFFAOYAN

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