Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2-isopropylphenol |
EINECS | N/A |
CAS No. | 26307-50-6 | Density | 1.396 g/cm3 |
PSA | 20.23000 | LogP | 3.27810 |
Solubility | N/A | Melting Point |
48-49 °C(Solv: heptane (142-82-5)) |
Formula | C9H11BrO | Boiling Point | 260.156 °C at 760 mmHg |
Molecular Weight | 215.09 | Flash Point | 111.139 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol, 4-bromo-2-isopropyl- (6CI,8CI); |
Article Data | 35 |
The 4-Bromo-2-isopropylphenol, with the CAS registry number 26307-50-6, is also known as Phenol, 4-bromo-2-isopropyl- (6CI,8CI). This chemical's molecular formula is C9H11BrO and molecular weight is 215.09. What's more, its systematic name is 4,4'-(1,2-Ethynediyl)diphenol.
Physical properties of 4-Bromo-2-isopropylphenol are: (1)ACD/LogP: 4.549; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 4.55; (5)ACD/BCF (pH 5.5): 1687.49; (6)ACD/BCF (pH 7.4): 1682.39; (7)ACD/KOC (pH 5.5): 7106.43; (8)ACD/KOC (pH 7.4): 7084.96; (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: 1.562; (14)Molar Refractivity: 50.01 cm3; (15)Molar Volume: 154.12 cm3; (16)Polarizability: 19.825×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 111.139 °C; (20)Enthalpy of Vaporization: 51.793 kJ/mol; (21)Boiling Point: 260.156 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(Br)cc1C(C)C
(2)Std. InChI: InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
(3)Std. InChIKey: IRIAFTMIYRJHNZ-UHFFFAOYSA-N