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| CAS No.: | 162662-27-3 |
|---|---|
| Name: | 4-(METHOXYMETHYL)PHENYLBORONIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H11BO4 |
| Molecular Weight: | 181.984 |
| Synonyms: | Boronicacid, [4-(methoxymethoxy)phenyl]- (9CI);4-Methoxymethoxyphenylboronic acid; |
| Density: | 1.195 g/cm3 |
| Boiling Point: | 346.27 °C at 760 mmHg |
| Flash Point: | 163.218 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 58.92000 |
| LogP: | -0.65090 |
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Specification
This chemical is called Boronic acid, B-[4-(methoxymethoxy)phenyl]-, and its systematic name is [4-(methoxymethoxy)phenyl]boronic acid. With the molecular formula of C8H11BO4, its molecular weight is 181.98. The CAS registry number of this chemical is 162662-27-3. Additionally, its product categories are Boronic Acids; Aryl; Organo Borons.
Other characteristics of the Boronic acid, B-[4-(methoxymethoxy)phenyl]- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 74.09; (8)ACD/KOC (pH 7.4): 69.92; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.02 cm3; (15)Molar Volume: 152.3 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 62.31 kJ/mol; (21)Boiling Point: 346.3 °C at 760 mmHg; (22)Vapour Pressure: 2.21E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(COc1ccc(cc1)B(O)O)C
2.InChI: InChI=1/C8H11BO4/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5,10-11H,6H2,1H
3.InChIKey: MERYVSUVKVVJMP-UHFFFAOYAC