4-Methoxy-2-formylphenylboronic acid supplier

Name
4-Methoxy-2-formylphenylboronic acid
EINECS
CAS No. 139962-95-1
Article Data11
CAS DataBase
Density 1.26 g/cm³
Solubility
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
Appearance white to light yellow powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-formyl-4-methoxyphenyl)- (9CI);2-Formyl-4-methoxybenzeneboronic acid;2-Formyl-4-methoxyphenylboronic acid;4-Methoxy-2-formylphenylboronic acid;
PSA 66.76000
LogP -0.81250

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

Product Name

4-Methoxy-2-formylphenylboronic acid

4-Methoxy-2-formylphenylboronic acid Specification

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