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| CAS No.: | 73852-17-2 |
|---|---|
| Name: | 2,6-DICHLOROPHENYLBORONIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5BCl2O2 |
| Molecular Weight: | 190.821 |
| Synonyms: | Boronicacid, (2,6-dichlorophenyl)- (9CI);2,6-Dichlorobenzeneboronic acid;(2,6-dichlorophenyl)boronic acid;Boronic acid, B-(2,6-dichlorophenyl)-; |
| EINECS: | -0 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 153 °C |
| Boiling Point: | 341.8 °C at 760 mmHg |
| Flash Point: | 160.5 °C |
| Solubility: | Insoluble in water. |
| Appearance: | off-white cryst |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| PSA: | 40.46000 |
| LogP: | 0.67320 |
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Specification
The Boronic acid,B-(2,6-dichlorophenyl)-, with the CAS registry number 73852-17-2, has the systematic name of (2,6-dichlorophenyl)boronic acid. It belongs to the following product categories: Blocks; BoronicAcids; Aryl; Boronic acid; Organoborons; B (Classes of Boron Compounds); Boronic Acids. And the molecular formula of the chemical is C6H5BCl2O2.
The characteristics of Boronic acid,B-(2,6-dichlorophenyl)- are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 77.66; (6)ACD/BCF (pH 7.4): 60.47; (7)ACD/KOC (pH 5.5): 783.73; (8)ACD/KOC (pH 7.4): 610.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 42.94 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cccc(Cl)c1B(O)O
(2)InChI: InChI=1/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
(3)InChIKey: CXDPUSMFYPQXCV-UHFFFAOYAC