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CAS No.: | 1072952-12-5 |
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Name: | 2,4-Dichloro-5-nitrophenylboronic acid |
Molecular Structure: | |
Formula: | C6H4BCl2NO4 |
Molecular Weight: | 235.82 |
Synonyms: | (2,4-dichloro-5-nitro-phenyl)boronic acid; |
Density: | 1.668 g/cm3 |
Boiling Point: | 412.548 °C at 760 mmHg |
Flash Point: | 203.302 °C |
PSA: | 86.28000 |
LogP: | 1.10460 |
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The CAS registry number of 2,4-Dichloro-5-nitrophenylboronic acid is 1072952-12-5. It belongs to the product categories of API Intermediates; Boronic Acid. This chemical's molecular formula is C6H4BCl2NO4 and molecular weight is 235.8173. Its systematic name is called (2,4-dichloro-5-nitro-phenyl)boronic acid.
Physical properties of 2,4-Dichloro-5-nitrophenylboronic acid: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.065; (3)ACD/LogD (pH 7.4): 1.112; (4)ACD/BCF (pH 5.5): 21.303; (5)ACD/BCF (pH 7.4): 2.372; (6)ACD/KOC (pH 5.5): 301.508; (7)ACD/KOC (pH 7.4): 33.572; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 48.976 cm3; (13)Molar Volume: 141.419 cm3; (14)Surface Tension: 65.975 dyne/cm; (15)Density: 1.668 g/cm3; (16)Flash Point: 203.302 °C; (17)Enthalpy of Vaporization: 70.136 kJ/mol; (18)Boiling Point: 412.548 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(c(cc1Cl)Cl)[N+](=O)[O-])(O)O
(2)InChI: InChI=1/C6H4BCl2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H
(3)InChIKey: QZUUWAWNYJMANP-UHFFFAOYAU