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4-Methoxy-2-formylphenylboronic acid

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Name

4-Methoxy-2-formylphenylboronic acid

EINECS N/A
CAS No. 139962-95-1 Density 1.26 g/cm3
PSA 66.76000 LogP -0.81250
Solubility N/A Melting Point 148 °C
Formula C8H9BO4 Boiling Point 395.238 °C at 760 mmHg
Molecular Weight 179.968 Flash Point 192.833 °C
Transport Information N/A Appearance white to light yellow powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 139962-95-1 (4-Methoxy-2-formylphenylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (2-formyl-4-methoxyphenyl)- (9CI);2-Formyl-4-methoxybenzeneboronic acid;2-Formyl-4-methoxyphenylboronic acid;4-Methoxy-2-formylphenylboronic acid;

Article Data 11

4-Methoxy-2-formylphenylboronic acid Specification

The Boronic acid,B-(2-formyl-4-methoxyphenyl)-, with the CAS registry number 139962-95-1, has the IUPAC name of (2-formyl-4-methoxyphenyl)boronic acid. It is a kind of white to light yellow powder, and belongs to the following product categories: Boronic acids; Heterocyclic Compounds; Aldehyde; Aryl; Organoborons. And the molecular formula of the chemical is C8H9BO4.

The characteristics of Boronic acid,B-(2-formyl-4-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.29; (7)ACD/KOC (pH 5.5): 85.05; (8)ACD/KOC (pH 7.4): 80.19; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.62 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 17.68×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 68.06 kJ/mol; (21)Boiling Point: 395.2 °C at 760 mmHg; (22)Vapour Pressure: 5.89E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OC)ccc1B(O)O
(2)InChI: InChI=1/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3
(3)InChIKey: ZSSNGMFKYFBOAG-UHFFFAOYAU

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