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145349-62-8

Basic Information
CAS No.: 145349-62-8
Name: 2-CHLORO-4-METHYLPHENYLBORONIC ACID PINACOL ESTER
Molecular Structure:
Molecular Structure of 145349-62-8 (2-CHLORO-4-METHYLPHENYLBORONIC ACID PINACOL ESTER)
Formula: C7H8BClO2
Molecular Weight: 170.403
Synonyms: Boronicacid, (2-chloro-4-methylphenyl)- (9CI);2-Chloro-4-methylbenzeneboronic acid;2-Chloro-p-tolylboronic acid;
Density: 1.26 g/cm3
Melting Point: 190-194 °C
Boiling Point: 316.8 °C at 760 mmHg
Flash Point: 145.4 °C
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36/37/39-36
PSA: 40.46000
LogP: 0.32820
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    Product Name: 2-CHLORO-4-METHYLPHENYLBORONIC ACID PINACOL ESTER CAS: 145349-62-8 MF: C7H8BClO2 MW: 170.4 EINECS: Mol File: 145349-62-8.mol 2-CHLORO-4-METHYLPHENYLBORONIC ACID PINACOL ESTER Structure 2-CHLORO-4-METHYLPHENYLBORONIC

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Specification

The Boronic acid,B-(2-chloro-4-methylphenyl)-, with the CAS registry number 145349-62-8, is also known as 2-Chloro-4-methylbenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid; Aryl; Organoborons. This chemical's molecular formula is C7H8BClO2 and molecular weight is 170.40. What's more, its systematic name is (2-chloro-4-methylphenyl)boronic acid. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. 

Physical properties of Boronic acid,B-(2-chloro-4-methylphenyl)- are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 59.78; (6)ACD/BCF (pH 7.4): 37.91; (7)ACD/KOC (pH 5.5): 649.17; (8)ACD/KOC (pH 7.4): 411.71; (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: 1.549; (14)Molar Refractivity: 42.73 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 16.94×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 152.2 °C; (20)Enthalpy of Vaporization: 60.21 kJ/mol; (21)Boiling Point: 328 °C at 760 mmHg; (22)Vapour Pressure: 7.87E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1B(O)O)C
(2)Std. InChI: InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
(3)Std. InChIKey: UKYCKUPXBPLXBA-UHFFFAOYSA-N