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Cas Database |
| Name |
Pentylboronic acid |
EINECS | 808-197-2 |
| CAS No. | 4737-50-2 | Density | 0.905 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
94°C(lit.) |
| Formula | C5H13BO2 | Boiling Point | 207.9 °C at 760 mmHg |
| Molecular Weight | 115.968 | Flash Point | 79.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Pentaneboronicacid (6CI,7CI,8CI);Boronic acid, pentyl- (9CI);NSC 524968;Pentylboronic acid; |
Article Data | 1 |
Pentylboronic acid Specification
The Pentylboronic acid, with the CAS registry number 4737-50-2, is also called 1-Pentaneboronic acid. The molecular formula of the chemical is C5H13BO2. And it belongs to the following product categories: Alkyl; Boronic acid; Organoborons.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.409; (8)Molar Refractivity: 31.71 cm3; (9)Molar Volume: 128 cm3; (10)Polarizability: 12.57×10-24cm3; (11)Surface Tension: 30.7 dyne/cm; (12)Density: 0.905 g/cm3; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 51.66 kJ/mol; (15)Boiling Point: 207.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0513 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(2)InChI: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(3)InChIKey: ABWPXVJNCQKYDR-UHFFFAOYAX
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