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474709-76-7

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Basic Information
CAS No.: 474709-76-7
Name: (3-CHLORO-4-ETHOXYCARBONYL)BENZENEBORONIC ACID
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 474709-76-7 ((3-CHLORO-4-ETHOXYCARBONYL)BENZENEBORONIC ACID)
Formula: C15H20BClO4
Molecular Weight: 310.5809
Synonyms: Ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;
Density: 1.16 g/cm3
Boiling Point: 401.335 °C at 760 mmHg
Flash Point: 196.521 °C
Hazard Symbols: IrritantXi
PSA: 44.76000
LogP: 2.81590
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Specification

The Benzoicacid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester, with the CAS registry number 474709-76-7, is also known as Ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. This chemical's molecular formula is C15H20BClO4 and molecular weight is 310.5809. What's more, it should be stored in condition of cold and dry. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoicacid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.509; (6)Molar Refractivity: 80.028 cm3; (7)Molar Volume: 267.852 cm3; (8)Polarizability: 31.725×10-24 cm3; (9)Surface Tension: 37.523 dyne/cm; (10)Density: 1.16 g/cm3; (11)Flash Point: 196.521 °C; (12)Enthalpy of Vaporization: 65.233 kJ/mol; (13)Boiling Point: 401.335 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)OB(OC1(C)C)c2ccc(C(=O)OCC)c(Cl)c2
(2) InChI: InChI=1/C15H20BClO4/c1-6-19-13(18)11-8-7-10(9-12(11)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
(3) InChIKey: GYLSDPPQNVGXBD-UHFFFAOYAI