CAS No.139962-95-1,4-Methoxy-2-formylphenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139962-95-1
Name:	4-Methoxy-2-formylphenylboronic acid
Article Data:	11

Formula:	C₈H₉BO₄
Molecular Weight:	179.968
Synonyms:	Boronicacid, (2-formyl-4-methoxyphenyl)- (9CI);2-Formyl-4-methoxybenzeneboronic acid;2-Formyl-4-methoxyphenylboronic acid;4-Methoxy-2-formylphenylboronic acid;
Density:	1.26 g/cm³
Melting Point:	148 °C
Boiling Point:	395.238 °C at 760 mmHg
Flash Point:	192.833 °C
Appearance:	white to light yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	66.76000
LogP:	-0.81250

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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