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Boronic acid,B-[2-(2-bromoethyl)phenyl]-

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Name

Boronic acid,B-[2-(2-bromoethyl)phenyl]-

EINECS N/A
CAS No. 850568-82-0 Density 1.49 g/cm3
PSA 40.46000 LogP 0.30380
Solubility N/A Melting Point 146-148 °C
Formula C8H10BBrO2 Boiling Point 359.9 °C at 760 mmHg
Molecular Weight 228.88 Flash Point 171.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850568-82-0 (2-(2-BROMOETHYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [2-(2-bromoethyl)phenyl]- (9CI);

 

Boronic acid,B-[2-(2-bromoethyl)phenyl]- Specification

The Boronic acid,B-[2-(2-bromoethyl)phenyl]-, with the CAS registry number 850568-82-0, is also known as 2-(2-Bromoethyl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Bromides. This chemical's molecular formula is C8H10BBrO2 and molecular weight is 228.88. What's more, its systematic name is called [2-(2-Bromoethyl)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.

Physical properties about Boronic acid,B-[2-(2-bromoethyl)phenyl]- are: (1) ACD/LogP: 2.46; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.46; (4) ACD/LogD (pH 7.4): 2.43; (5) #H bond acceptors: 2; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 5; (8) Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.57; (10) Molar Refractivity: 50.27 cm3; (11)Molar Volume: 153.1 cm3; (12) Surface Tension: 47.8 dyne/cm; (13) Density: 1.49 g/cm3; (14) Flash Point: 171.4 °C; (15) Enthalpy of Vaporization: 63.89 kJ/mol; (16) Boiling Point: 359.9 °C at 760 mmHg; (17) Vapour Pressure: 8.32E-06 mmHg at 25 °C; (18) Melting Point: 146-148 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccccc1CCBr)(O)O
(2) InChI: InChI=1/C8H10BBrO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5-6H2
(3) InChIKey: XIPVXKZTNMWBDZ-UHFFFAOYAP

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