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| CAS No.: | 35979-69-2 |
|---|---|
| Name: | 4-BroMo-2-Methylbutan-2-ol |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C5H11BrO |
| Molecular Weight: | 167.046 |
| Synonyms: | 4-Bromo-2-methylbutan-2-ol; |
| Density: | 1.371 g/cm3 |
| Boiling Point: | 189.696 °C at 760 mmHg |
| Flash Point: | 79.214 °C |
| PSA: | 20.23000 |
| LogP: | 1.54230 |
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Specification
The 4-Bromo-2-methyl-2-butanol, with the CAS registry number 35979-69-2, is also known as 4-Bromo-2-methylbutan-2-ol. This chemical's molecular formula is C5H11BrO and molecular weight is 167.04. What's more, its systematic name is 4-Bromo-2-methyl-2-butanol.
Physical properties of 4-Bromo-2-methyl-2-butanol are: (1)ACD/LogP: 1.288; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.61; (7)ACD/KOC (pH 5.5): 119.62; (8)ACD/KOC (pH 7.4): 119.62; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 34.446 cm3; (15)Molar Volume: 121.805 cm3; (16)Polarizability: 13.655×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 79.214 °C; (20)Enthalpy of Vaporization: 49.566 kJ/mol; (21)Boiling Point: 189.696 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCC(O)(C)C
(2)Std. InChI: InChI=1S/C5H11BrO/c1-5(2,7)3-4-6/h7H,3-4H2,1-2H3
(3)Std. InChIKey: RBFVGQWGOARJRU-UHFFFAOYSA-N