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| CAS No.: | 2077-19-2 |
|---|---|
| Name: | 2-(4-Bromophenyl)propan-2-ol |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C9H11BrO |
| Molecular Weight: | 215.09 |
| Synonyms: | 2-(4-Bromophenyl)propan-2-ol; p-bromoisopropoxybenzene; |
| Density: | 1.403 g/cm3 |
| Melting Point: | 45.6℃ |
| Boiling Point: | 281.535 °C at 760 mmHg |
| Flash Point: | 124.068 °C |
| Solubility: | Slightly soluble in water (1.4 g/L) (25°C) |
| PSA: | 20.23000 |
| LogP: | 2.67650 |
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Specification
This chemical is called 2-(4-Bromophenyl)propan-2-ol. With the molecular formula of C9H11BrO, its molecular weight is 215.08704. The CAS registry number of this chemical is 2077-19-2.
Other characteristics of the 2-(4-Bromophenyl)propan-2-ol can be summarised as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 548; (8)ACD/KOC (pH 7.4): 548; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 49.232 cm3; (15)Molar Volume: 153.305 cm3; (16)Polarizability: 19.517×10-24cm3; (17)Surface Tension: 38.856 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 124.068 °C; (20)Enthalpy of Vaporization: 54.96 kJ/mol; (21)Boiling Point: 281.535 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(C)(C)c1ccc(Br)cc1
2.InChI: InChI=1/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
3.InChIKey: AOGYBHJTXLXRSM-UHFFFAOYAF