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Boronic acid, B-(3-chloro-5-methylphenyl)-

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Name

Boronic acid, B-(3-chloro-5-methylphenyl)-

EINECS N/A
CAS No. 913836-14-3 Density 1.26 g/cm3
PSA 40.46000 LogP 0.32820
Solubility N/A Melting Point 235-238 °C
Formula C7H8BClO2 Boiling Point 336.3 °C at 760 mmHg
Molecular Weight 170.403 Flash Point 157.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 913836-14-3 (3-CHLORO-5-METHYLPHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (3-chloro-5-methylphenyl)- (9CI);3-Chloro-5-methylphenylboronic acid;

Article Data 1

Boronic acid, B-(3-chloro-5-methylphenyl)- Specification

This chemical is called Boronic acid, B-(3-chloro-5-methylphenyl)-, and its systematic name is (3-chloro-5-methylphenyl)boronic acid. With the molecular formula of C7H8BClO2, its molecular weight is 170.40. The CAS registry number of this chemical is 913836-14-3. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the Boronic acid, B-(3-chloro-5-methylphenyl)- can be summarised as followings: (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): 2.45; (5)ACD/BCF (pH 5.5): 59.8; (6)ACD/BCF (pH 7.4): 38.56; (7)ACD/KOC (pH 5.5): 649.38; (8)ACD/KOC (pH 7.4): 418.71; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 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: 157.2 °C; (20)Enthalpy of Vaporization: 61.16 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OB(O)c1cc(C)cc(Cl)c1
2.InChI: InChI=1/C7H8BClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
3.InChIKey: QXHLBINWDJITMJ-UHFFFAOYAC

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