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

Name
2,6-Dichloro-3-methylphenylboronic acid
EINECS
CAS No. 851756-54-2
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₇H₇BCl₂O₂
Boiling Point 363.6 °C at 760 mmHg
Molecular Weight 204.848
Flash Point 173.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (2,6-dichloro-3-methylphenyl)- (9CI);2,6-Dichloro-3-methylphenylboronic acid;2,6-Dichloro-3-methylbenzeneboronic acid;
PSA 40.46000
LogP 0.98160

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

Product Name

2,6-Dichloro-3-methylphenylboronic acid

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

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