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CAS No.: | 279262-11-2 |
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Name: | 4-METHOXYMETHYLBENZENEBORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H11BO3 |
Molecular Weight: | 165.985 |
Synonyms: | Boronicacid, [4-(methoxymethyl)phenyl]- (9CI);4-Methoxymethylbenzeneboronic acid;[4-(Methoxymethyl)phenyl]boronic acid;[4-(methoxymethyl)phenyl]boronic acid;boronic acid, B-[4-(methoxymethyl)phenyl]-; |
Density: | 1.13 g/cm3 |
Boiling Point: | 296.2 °C at 760 mmHg |
Flash Point: | 132.9 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
PSA: | 49.69000 |
LogP: | -0.48720 |
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The Boronic acid,B-[4-(methoxymethyl)phenyl]-, with the CAS registry number 279262-11-2, has the systematic name of [4-(methoxymethyl)phenyl]boronic acid. It belongs to the following product categories: Blocks; Aryl; Boronic acid; Organoborons. And the molecular formula of the chemical is C8H11BO3.
The characteristics of Boronic acid,B-[4-(methoxymethyl)phenyl]- are as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 44.28 cm3; (9)Molar Volume: 146 cm3; (10)Polarizability: 17.55 10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.13 g/cm3; (13)Flash Point: 132.9 °C; (14)Enthalpy of Vaporization: 56.6 kJ/mol; (15)Boiling Point: 296.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000657 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C)Cc1ccc(cc1)B(O)O
(2)InChI: InChI=1/C8H11BO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3
(3)InChIKey: VTNVZXAYRMTKON-UHFFFAOYAK