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334018-52-9

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Basic Information
CAS No.: 334018-52-9
Name: (3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER
Article Data: 1
Molecular Structure:
Molecular Structure of 334018-52-9 ((3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER)
Formula: C14H18BClO4
Molecular Weight: 296.559
Synonyms: Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;(3-Chloro-4-methoxycarbonyl)benzeneboronic acid pinacol ester;
Density: 1.179 g/cm3
Melting Point: 48-51 °C
Boiling Point: 387.704 °C at 760 mmHg
Flash Point: 188.277 °C
Solubility: Slightly soluble in water.
Hazard Symbols: IrritantXi
PSA: 44.76000
LogP: 2.42580
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Specification

The Benzoicacid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, with the CAS registry number 334018-52-9, is also known as (3-Chloro-4-methoxycarbonyl)benzeneboronic acid pinacol ester. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C14H18BClO4 and molecular weight is 296.55. What's more, its systematic name is methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. It should be kept cold.

Physical properties of Benzoicacid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.511; (6)Molar Refractivity: 75.397 cm3; (7)Molar Volume: 251.606 cm3; (8)Polarizability: 29.89×10-24cm3; (9)Surface Tension: 37.555 dyne/cm; (10)Density: 1.179 g/cm3; (11)Flash Point: 188.277 °C; (12)Enthalpy of Vaporization: 63.681 kJ/mol; (13)Boiling Point: 387.704 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(C(=O)OC)c(Cl)c2
(2)InChI: InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(11(16)8-9)12(17)18-5/h6-8H,1-5H3
(3)InChIKey: SPVAFOQLYCMOAO-UHFFFAOYSA-N