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4-Benzyloxy-3-methylphenylboronic acid

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Name

4-Benzyloxy-3-methylphenylboronic acid

EINECS N/A
CAS No. 338454-30-1 Density 1.178 g/cm3
PSA 49.69000 LogP 1.25380
Solubility N/A Melting Point 102-106 °C
Formula C14H15BO3 Boiling Point 431.597 °C at 760 mmHg
Molecular Weight 242.082 Flash Point 214.822 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 338454-30-1 (4-Benzyloxy-3-methylbenzeneboronic acid) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

[4-(benzyloxy)-3-methylphenyl]boronic acid;

Article Data 2

4-Benzyloxy-3-methylphenylboronic acid 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

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