Benzoicacid, 4-borono-3-chloro-, 1-ethyl ester (9CI) supplier

Name
2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID 98
EINECS
CAS No. 913835-94-6
Density 1.33g/cm³
Solubility
Melting Point 115-118
Formula C₉H₁₀BClO₄
Boiling Point 394.8 °C at 760 mmHg
Molecular Weight 228.4373
Flash Point 192.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID;2-CHLORO-4-(ETHOXYCARBONYL)PHENYLBORONIC ACID;ETHYL 4-BORONO-3-CHLOROBENZOATE;2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID 98;2-Chloro-4-(ethoxycarbonyl)benzeneboronic acid 98%
PSA 66.76000
LogP 0.19650

Benzoicacid, 4-borono-3-chloro-, 1-ethyl ester (9CI) Specification

The Benzoicacid, 4-borono-3-chloro-, 1-ethyl ester (9CI), with CAS registry number 913835-94-6, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (2-chloro-4-ethoxycarbonyl-phenyl)boronic acid. And the chemical formula of this chemical is C₉H₁₀BClO₄.

Physical properties of Benzoicacid, 4-borono-3-chloro-, 1-ethyl ester (9CI): (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.45; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 66.76 Å²; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 53.85 cm³; (11)Molar Volume: 170.6 cm³; (12)Polarizability: 21.35×10^-24cm³; (13)Surface Tension: 49.5 dyne/cm; (14)Density: 1.33 g/cm³; (15)Flash Point: 192.5 °C; (16)Enthalpy of Vaporization: 68 kJ/mol; (17)Boiling Point: 394.8 °C at 760 mmHg; (18)Vapour Pressure: 6.12E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1Cl)C(=O)OCC)(O)O
(2)InChI: InChI=1/C9H10BClO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3
(3)InChIKey: JVVJLOYYNCABND-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H10BClO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3
(5)Std. InChIKey: JVVJLOYYNCABND-UHFFFAOYSA-N

Product Name

2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID 98

Benzoicacid, 4-borono-3-chloro-, 1-ethyl ester (9CI) Specification

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