CAS No.1072952-10-3,3-Amino-4,5-difluorophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1072952-10-3
Name:	3-Amino-4,5-difluorophenylboronic acid

Formula:	C₆H₆BF₂NO₂
Molecular Weight:	172.93
Synonyms:	Boronic acid, B-(3-amino-4,5-difluorophenyl)-;
Density:	1.43 g/cm³
Boiling Point:	355.7 °C at 760 mmHg
Flash Point:	168.9 °C
PSA:	66.48000
LogP:	-0.19200

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Specification

The 3-Amino-4, 5-difluorophenylboronic acid, with the CAS registry number 1072952-10-3, is also known as Boronic acid, B-(3-amino-4,5-difluorophenyl)-. It belongs to the product categories of API Intermediates; Boronic Acid. This chemical's molecular formula is C₆H₆BF₂NO₂ and molecular weight is 172.93. What's more, its systematic name is (3-Amino-4, 5-difluorophenyl)boronic acid.

Physical properties about 3-Amino-4, 5-difluorophenylboronic acid are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 3.34; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 81.94; (8)ACD/KOC (pH 7.4): 30.28; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.48 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.13 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 14.71×10^-24 cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.43 g/cm³; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 63.4 kJ/mol; (21)Boiling Point: 355.7 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(c(c(c1)F)F)N)(O)O
(2) InChI: InChI=1/C6H6BF2NO2/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2,11-12H,10H2
(3) InChIKey: KPRHAVKMMVFSJB-UHFFFAOYAH