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Boronic acid,B-(2,6-dichloro-3-methylphenyl)-

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Name

Boronic acid,B-(2,6-dichloro-3-methylphenyl)-

EINECS N/A
CAS No. 851756-54-2 Density 1.4 g/cm3
PSA 40.46000 LogP 0.98160
Solubility N/A Melting Point N/A
Formula C7H7BCl2O2 Boiling Point 363.6 °C at 760 mmHg
Molecular Weight 204.848 Flash Point 173.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 851756-54-2 (2,6-Dichloro-3-methylphenylboronic acid) Hazard Symbols N/A
Synonyms

Boronicacid, (2,6-dichloro-3-methylphenyl)- (9CI);2,6-Dichloro-3-methylphenylboronic acid;2,6-Dichloro-3-methylbenzeneboronic acid;

 

Boronic acid,B-(2,6-dichloro-3-methylphenyl)- Specification

The systematic name of Boronic acid,B-(2,6-dichloro-3-methylphenyl)- is (2,6-dichloro-3-methyl-phenyl)boronic acid. With the CAS registry number 851756-54-2, it is also named as 2,6-Dichloro-3-methylbenzeneboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Organoborons. In addition, its molecular formula is C7H7BCl2O2 and its molecular weight is 204.8463.

The other characteristics of Boronic acid,B-(2,6-dichloro-3-methylphenyl)- can be summarized as: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.16; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.567; (10)Molar Refractivity: 47.56 cm3; (11)Molar Volume: 145.5 cm3; (12)Polarizability: 18.85×10-24cm3; (13)Surface Tension: 48.6 dyne/cm; (14)Density: 1.4 g/cm3; (15)Flash Point: 173.7 °C; (16)Enthalpy of Vaporization: 64.32 kJ/mol; (17)Boiling Point: 363.6 °C at 760 mmHg; (18)Vapour Pressure: 6.35E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1c(ccc(c1Cl)C)Cl)(O)O
(2)InChI: InChI=1/C7H7BCl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
(3)InChIKey: QRWVEDFFDGYSPO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H7BCl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
(5)Std. InChIKey: QRWVEDFFDGYSPO-UHFFFAOYSA-N

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