3-Isopropoxyphenylboronic acid supplier

Name
3-ISOPROPOXYPHENYLBORONIC ACID
EINECS
CAS No. 216485-86-8
Density 1.1 g/cm³
Solubility
Melting Point 76-81 °C(lit.)
Formula C₉H₁₃BO₃
Boiling Point 331.5 °C at 760 mmHg
Molecular Weight 180.011
Flash Point 154.3 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-(1-methylethoxy)phenyl]- (9CI);3-Isopropoxybenzeneboronic acid;[3-[(1-Methylethyl)oxy]phenyl]boronic acid;3-iso-Propoxyphenylboronic acid;
PSA 49.69000
LogP 0.15360

3-Isopropoxyphenylboronic acid Specification

This chemical is called [3-(1-Methylethoxy)phenyl]boronic acid, and its CAS registry number is 216485-86-8. With the molecular formula of C₉H₁₃BO₃, its product categories are Blocks; Aryl; Boronic Acids and Derivatives. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the [3-(1-Methylethoxy)phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 38.07; (6)ACD/BCF (pH 7.4): 33.36; (7)ACD/KOC (pH 5.5): 470.74; (8)ACD/KOC (pH 7.4): 412.46; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 48.89 cm³; (15)Molar Volume: 163 cm³; (16)Polarizability: 19.38×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 154.3 °C; (20)Enthalpy of Vaporization: 60.6 kJ/mol; (21)Boiling Point: 331.5 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1cccc(c1)B(O)O)C(C)C
2.InChI: InChI=1/C9H13BO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3
3.InChIKey: UKZVUHVNTYDSOP-UHFFFAOYAZ

Product Name

3-ISOPROPOXYPHENYLBORONIC ACID

3-Isopropoxyphenylboronic acid Specification

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