Boronic acid,B-(4-bromo-2,6-difluorophenyl)- supplier

Name
4-BROMO-2 6-DIFLUOROPHENYLBORONIC ACID
EINECS
CAS No. 352535-81-0
Density 1.82 g/cm³
Solubility
Melting Point 155-160 ºC
Formula C₆H₄BBrF₂O₂
Boiling Point 298.4 °C at 760 mmHg
Molecular Weight 236.808
Flash Point 134.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-bromo-2,6-difluorophenyl)- (9CI);
PSA 40.46000
LogP 0.40710

Boronic acid,B-(4-bromo-2,6-difluorophenyl)- Specification

The Boronic acid,B-(4-bromo-2,6-difluorophenyl)-, with the CAS registry number 352535-81-0, is also known as 4-Bromo-2,6-difluorophenylboronicacid. It belongs to the product categories of Blocks; Boronic Acids; Bromides; Api Intermediates; Aryl; Organoborons. This chemical's molecular formula is C₆H₄BBrF₂O₂ and molecular weight is 236.8066. What's more, its systematic name is (4-Bromo-2,6-difluorophenyl)boronic acid. In addition, it may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-(4-bromo-2,6-difluorophenyl)- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 45.17; (6)ACD/BCF (pH 7.4): 34.65; (7)ACD/KOC (pH 5.5): 531.68; (8)ACD/KOC (pH 7.4): 407.9; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 41.23 cm³; (15)Molar Volume: 129.8 cm³; (16)Polarizability: 16.34×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.82 g/cm³; (19)Flash Point: 134.3 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 298.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000569 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(B(O)O)c(F)cc(Br)c1
(2) InChI: InChI=1/C6H4BBrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
(3) InChIKey: QHYNAULNEIXXPC-UHFFFAOYAC

Product Name

4-BROMO-2 6-DIFLUOROPHENYLBORONIC ACID

Boronic acid,B-(4-bromo-2,6-difluorophenyl)- Specification

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