CAS No.338454-30-1,4-Benzyloxy-3-methylbenzeneboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	338454-30-1
Name:	4-Benzyloxy-3-methylbenzeneboronic acid
Article Data:	2

Formula:	C₁₄H₁₅BO₃
Molecular Weight:	242.082
Synonyms:	[4-(benzyloxy)-3-methylphenyl]boronic acid;
Density:	1.178 g/cm³
Melting Point:	102-106 °C
Boiling Point:	431.597 °C at 760 mmHg
Flash Point:	214.822 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	49.69000
LogP:	1.25380

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Specification

The Boronic acid,[3-methyl-4-(phenylmethoxy)phenyl]- (9Cl), with the CAS registry number 179923-32-1, has the systematic name of [4-(benzyloxy)-3-methylphenyl]boronic acid. It belongs to the following product categories: Blocks; BoronicAcids; Boronic acid. And the molecular formula of the chemical is C₁₄H₁₅BO₃.

The characteristics of Boronic acid,[3-methyl-4-(phenylmethoxy)phenyl]- (9Cl) are as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 332; (6)ACD/BCF (pH 7.4): 318; (7)ACD/KOC (pH 5.5): 2219; (8)ACD/KOC (pH 7.4): 2124; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 68.991 cm³; (15)Molar Volume: 205.582 cm³; (16)Polarizability: 27.35×10^-24cm³; (17)Surface Tension: 48.474 dyne/cm; (18)Density: 1.178 g/cm³; (19)Flash Point: 214.822 °C; (20)Enthalpy of Vaporization: 72.442 kJ/mol; (21)Boiling Point: 431.597 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. And it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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: OB(O)c2ccc(OCc1ccccc1)c(C)c2
(2)InChI: InChI=1/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
(3)InChIKey: QPXFEWQLALNXEZ-UHFFFAOYAJ