Boronic acid,B-(4-methoxy-3-methylphenyl)- supplier

Name
4-METHOXY-3-METHYLPHENYLBORONIC ACID
EINECS
CAS No. 175883-62-2
Article Data5
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 205-210 °C(lit.)
Formula C₈H₁₁BO₃
Boiling Point 321.4 °C at 760 mmHg
Molecular Weight 165.985
Flash Point 148.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-methoxy-3-methylphenyl)- (9CI);3-Methyl-4-methoxyphenylboronic acid;4-Methoxy-3-methylphenylboronic acid;(4-Methoxy-3-methylphenyl)boronic acid;boronic acid, B-(4-methoxy-3-methylphenyl)-;
PSA 49.69000
LogP -0.31660

Boronic acid,B-(4-methoxy-3-methylphenyl)- Specification

The Boronic acid,B-(4-methoxy-3-methylphenyl)-, with the CAS registry number 175883-62-2, has the systematic name of (4-methoxy-3-methylphenyl)boronic acid. It belongs to the product following categories: Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives; Organoborons. And the molecular formula of the chemical is C₈H₁₁BO₃.

The characteristics of Boronic acid,B-(4-methoxy-3-methylphenyl)- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 18.33; (6)ACD/BCF (pH 7.4): 17.88; (7)ACD/KOC (pH 5.5): 279.04; (8)ACD/KOC (pH 7.4): 272.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 44.27 cm³; (15)Molar Volume: 145.5 cm³; (16)Polarizability: 17.55×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 59.45 kJ/mol; (21)Boiling Point: 321.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 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 clothing, 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(c1ccc(cc1C)B(O)O)C
(2)InChI: InChI=1/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
(3)InChIKey: PXVDQGVAZBTFIB-UHFFFAOYAZ

Product Name

4-METHOXY-3-METHYLPHENYLBORONIC ACID

Boronic acid,B-(4-methoxy-3-methylphenyl)- Specification

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