2-Amino-3,5-difluorophenylboronic acid supplier

Name
2-Amino-3,5-difluorophenylboronic acid
EINECS
CAS No. 1072952-15-8
Density 1.439 g/cm³
Solubility
Melting Point
Formula C₆H₆BF₂NO₂
Boiling Point 332.969 °C at 760 mmHg
Molecular Weight 172.93
Flash Point 155.175 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronic acid, B-(2-amino-3,5-difluorophenyl)-;(2-Amino-3,5-difluoro-phenyl)boronic acid;
PSA 66.48000
LogP -0.19200

2-Amino-3,5-difluorophenylboronic acid Specification

The 2-Amino-3,5-difluorophenylboronic acid, with the CAS registry number 1072952-15-8, is also known as Boronic acid, B-(2-amino-3,5-difluorophenyl)-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C₆H₆BF₂NO₂ and molecular weight is 172.93. What's more, its systematic name is (2-amino-3,5-difluoro-phenyl)boronic acid.

Physical properties of 2-Amino-3,5-difluorophenylboronic acid are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.496; (4)ACD/BCF (pH 5.5): 1.365; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 42.09; (7)ACD/KOC (pH 7.4): 4.47; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.48 Å²; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 37.131 cm³; (14)Molar Volume: 120.176 cm³; (15)Polarizability: 14.72×10^-24cm³; (16)Surface Tension: 46.819 dyne/cm; (17)Density: 1.439 g/cm³; (18)Flash Point: 155.175 °C; (19)Enthalpy of Vaporization: 60.776 kJ/mol; (20)Boiling Point: 332.969 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1N)F)F)(O)O
(2)InChI: InChI=1S/C6H6BF2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H,10H2
(3)InChIKey: UCYXMGAVMYFHST-UHFFFAOYSA-N

Product Name

2-Amino-3,5-difluorophenylboronic acid

2-Amino-3,5-difluorophenylboronic acid Specification

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