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CAS No.: | 325786-11-6 |
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Name: | 2,4-DIFLUORO-5-NITROPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C6H4BF2NO4 |
Molecular Weight: | 202.91 |
Synonyms: | (2,4-Difluoro-5-nitrophenyl)boronic acid;boronic acid, B-(2,4-difluoro-5-nitrophenyl)-; |
Density: | 1.57 g/cm3 |
Melting Point: | 225-227 °C |
Boiling Point: | 361.4 °C at 760 mmHg |
Flash Point: | 172.3 °C |
Hazard Symbols: | Xi |
PSA: | 86.28000 |
LogP: | 0.07600 |
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The CAS register number of (2,4-Difluoro-5-nitrophenyl)boronic acid is 325786-11-6. It also can be called as boronic acid, B-(2,4-difluoro-5-nitrophenyl)- and the systematic name about this chemical is (2,4-difluoro-5-nitrophenyl)boronic acid. The molecular formula about this chemical is C6H4BF2NO4 and the molecular weight is 202.91. It belongs to the following product categories which include Blocks; BoronicAcids; Boronic Acid and so on.
Physical properties about (2,4-Difluoro-5-nitrophenyl)boronic acid are: (1)ACD/LogP: 0.95; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 64.28Å2; (6)Index of Refraction: 1.526; (7)Molar Refractivity: 39.54 cm3; (8)Molar Volume: 128.7 cm3; (9)Polarizability: 15.67x10-24cm3; (10)Surface Tension: 50.6 dyne/cm; (11)Enthalpy of Vaporization: 64.07 kJ/mol; (12)Boiling Point: 361.4 °C at 760 mmHg; (13)Vapour Pressure: 7.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)c(cc1B(O)O)[N+]([O-])=O
(2)InChI: InChI=1/C6H4BF2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H
(3)InChIKey: PSPLUVTUISDWMW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H4BF2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H
(5)Std. InChIKey: PSPLUVTUISDWMW-UHFFFAOYSA-N