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4-Chloro-3-methylphenylboronic acid

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Name

4-Chloro-3-methylphenylboronic acid

EINECS N/A
CAS No. 161950-10-3 Density 1.26 g/cm3
PSA 40.46000 LogP 0.32820
Solubility N/A Melting Point 238-242 °C
Formula C7H8BClO2 Boiling Point 317.5 °C at 760 mmHg
Molecular Weight 170.403 Flash Point 145.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 161950-10-3 (4-CHLORO-M-TOLUENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (4-chloro-3-methylphenyl)- (9CI);4-Chloro-3-methylphenylboronic acid;(4-chloro-3-methylphenyl)boronic acid;boronic acid, B-(4-chloro-3-methylphenyl)-;(4-Chloro-3-methylphenyl)boronic acid;

 

4-Chloro-3-methylphenylboronic acid Specification

The Boronic acid,B-(4-chloro-3-methylphenyl)-, with the CAS registry number 161950-10-3, has the systematic name of (4-chloro-3-methylphenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C7H8BClO2.

The characteristics of Boronic acid,B-(4-chloro-3-methylphenyl)- are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 42.73 cm3; (9)Molar Volume: 134.3 cm3; (10)Polarizability: 16.94×10-24cm3; (11)Surface Tension: 44.5 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 145.8 °C; (14)Enthalpy of Vaporization: 59 kJ/mol; (15)Boiling Point: 317.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000161 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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: Clc1ccc(B(O)O)cc1C
(2)InChI: InChI=1/C7H8BClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
(3)InChIKey: UZDPQDBLCJDUAX-UHFFFAOYAS

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