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313545-20-9

Basic Information
CAS No.: 313545-20-9
Name: 3-CHLORO-2-METHYLPHENYLBORONIC ACID
Molecular Structure:
Molecular Structure of 313545-20-9 (3-CHLORO-2-METHYLPHENYLBORONIC ACID)
Formula: C7H8BClO2
Molecular Weight: 170.403
Synonyms: Boronicacid, (3-chloro-2-methylphenyl)- (9CI);3-Chloro-2-methylbenzeneboronic acid;3-Chloro-2-methylphenylboronic acid;
Density: 1.26 g/cm3
Melting Point: 142-146 °C
Boiling Point: 325.3 °C at 760 mmHg
Flash Point: 150.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 40.46000
LogP: 0.32820
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  • 3-Chloro-2-methylphenylboronic acid

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    313545-20-9

    3-Chloro-2-methylphenylboronic acid

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Specification

The CAS register number of Boronic acid,B-(3-chloro-2-methylphenyl)- is 313545-20-9. It also can be called as 3-Chloro-2-methylbenzeneboronic acid and the systematic name about this chemical is (3-chloro-2-methylphenyl)boronic acid. The molecular formula about this chemical is C7H8BClO2 and the molecular weight is 170.4. It belongs to the following product categories which include Blocks; BoronicAcids; Aryl; Organoborons and so on.

Physical properties about Boronic acid,B-(3-chloro-2-methylphenyl)- are: (1)ACD/LogP: 2.64; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 18.46Å2; (6)Index of Refraction: 1.549; (7)Molar Refractivity: 42.73 cm3; (8)Molar Volume: 134.3 cm3; (9)Polarizability: 16.94x10-24cm3; (10)Surface Tension: 44.5 dyne/cm; (11)Flash Point: 150.6 °C; (12)Enthalpy of Vaporization: 59.9 kJ/mol; (13)Boiling Point: 325.3 °C at 760 mmHg; (14)Vapour Pressure: 9.46E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(B(O)O)c1C
(2)InChI: InChI=1/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
(3)InChIKey: BJPNVVXTUYMJPN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
(5)Std. InChIKey: BJPNVVXTUYMJPN-UHFFFAOYSA-N