4-Bromo-2-isopropylphenol supplier

Name
4-Bromo-2-isopropylphenol
EINECS
CAS No. 26307-50-6
Article Data35
CAS DataBase
Density 1.396 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol, 4-bromo-2-isopropyl- (6CI,8CI);
PSA 20.23000
LogP 3.27810

4-Bromo-2-isopropylphenol Specification

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

Product Name

4-Bromo-2-isopropylphenol

4-Bromo-2-isopropylphenol Specification

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