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4-Chloro-3-(ethoxycarbonyl)phenylboronic acid

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Name

4-Chloro-3-(ethoxycarbonyl)phenylboronic acid

EINECS N/A
CAS No. 874219-46-2 Density 1.33 g/cm3
PSA 66.76000 LogP 0.19650
Solubility N/A Melting Point 162-164 °C
Formula C9H10BClO4 Boiling Point 392.5 °C at 760 mmHg
Molecular Weight 228.44 Flash Point 191.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874219-46-2 (4-Chloro-3-(ethoxycarbonyl)phenylboronic acid) Hazard Symbols IrritantXi
Synonyms

4-Chloro-3-(ethoxycarbonyl)phenylboronic acid;

Article Data 1

4-Chloro-3-(ethoxycarbonyl)phenylboronic acid Specification

The 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid, its cas register number is 874219-46-2. It also can be called as Benzoic acid,5-borono-2-chloro-, 1-ethyl ester and the Systematic name about this chemical is (4-chloro-3-ethoxycarbonyl-phenyl)boronic acid. It belongs to the following product categories, such as blocks, BoronicAcids, Carboxes and so on. If you want to store this chemical, please keep it cold.

Physical properties about 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 66.76Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 53.85 cm3; (7)Molar Volume: 170.6 cm3; (8)Polarizability: 21.35x10-24cm3; (9)Surface Tension: 49.5 dyne/cm; (10)Enthalpy of Vaporization: 67.74 kJ/mol; (11)Vapour Pressure: 7.26E-07 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)C(=O)OCC)Cl)(O)O
(2)InChI: InChI=1/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
(3)InChIKey: HYQMEDIXHJXOND-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
(5)Std. InChIKey: HYQMEDIXHJXOND-UHFFFAOYSA-N

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