Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-4-fluorophenylboronic acid |
EINECS | N/A |
CAS No. | 873566-75-7 | Density | 1.343 g/cm3 |
PSA | 66.48000 | LogP | -0.33110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BFNO2 | Boiling Point | 345.974 °C at 760 mmHg |
Molecular Weight | 154.936 | Flash Point | 163.04 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (3-amino-4-fluorophenyl)- (9CI);3-Amino-4-fluorophenylboronic acid; |
Article Data | 2 |
This chemical is called Boronic acid, B-(3-amino-4-fluorophenyl)-, and its systematic name is (3-Amino-4-fluorophenyl)boronic acid. With the molecular formula of C6H7BFNO2, its molecular weight is 154.94. The CAS registry number of this chemical is 873566-75-7.
Other characteristics of the Boronic acid, B-(3-amino-4-fluorophenyl)- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 53; (8)ACD/KOC (pH 7.4): 46; (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: 1.555; (14)Molar Refractivity: 37.019 cm3; (15)Molar Volume: 115.375 cm3; (16)Polarizability: 14.675×10-24cm3; (17)Surface Tension: 50.137 dyne/cm; (18)Density: 1.343 g/cm3; (19)Flash Point: 163.04 °C; (20)Enthalpy of Vaporization: 62.276 kJ/mol; (21)Boiling Point: 345.974 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1N)B(O)O
2.InChI: InChI=1/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
3.InChIKey: SYBMNJPUZMUPGQ-UHFFFAOYAR