CAS No.380430-53-5,2-Ethoxycarbonylbenzeneboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380430-53-5
Name:	2-Ethoxycarbonylbenzeneboronic acid
Article Data:	2

Formula:	C₉H₁₁BO₄
Molecular Weight:	193.995
Synonyms:	2-Ethoxycarbonylphenylboronicacid;
Density:	1.21 g/cm³
Melting Point:	137 °C
Boiling Point:	367.5 °C at 760 mmHg
Flash Point:	176.1 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.76000
LogP:	-0.45690

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Specification

This chemical is called Benzoic acid, 2-borono-, 1-ethyl ester, and its systematic name is [2-(ethoxycarbonyl)phenyl]boronic acid. With the molecular formula of C₉H₁₁BO₄, its product categories are Carboxylicester; Blocks; Carboxes; Substituted Boronic Acids; Aryl; Boronic Acids and Derivatives. The CAS registry number of this chemical is 380430-53-5. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Benzoic acid, 2-borono-, 1-ethyl ester can be summarised as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 23.11; (6)ACD/BCF (pH 7.4): 19.85; (7)ACD/KOC (pH 5.5): 329.27; (8)ACD/KOC (pH 7.4): 282.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 49.03 cm³; (15)Molar Volume: 159.5 cm³; (16)Polarizability: 19.43×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 176.1 °C; (20)Enthalpy of Vaporization: 64.79 kJ/mol; (21)Boiling Point: 367.5 °C at 760 mmHg; (22)Vapour Pressure: 4.75E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1ccccc1B(O)O
2.InChI: InChI=1/C9H11BO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6,12-13H,2H2,1H3
3.InChIKey: QZKVVOXAEBCLPZ-UHFFFAOYAR