Basic Information | Post buying leads | Suppliers |
Name |
4-Chloro-3-ethyl-5-methyl-phenol |
EINECS | N/A |
CAS No. | 1125-66-2 | Density | 1.145 g/cm3 |
PSA | 20.23000 | LogP | 2.91640 |
Solubility | 375.4mg/L(25 oC) | Melting Point |
N/A |
Formula | C9H11ClO | Boiling Point | 267 °C at 760 mmHg |
Molecular Weight | 170.6404 | Flash Point | 115.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol, 4-chloro-3-ethyl-5-methyl-; |
The 4-Chloro-3-ethyl-5-methyl-phenol, with the CAS registry number of 1125-66-2, is also known as Phenol, 4-chloro-3-ethyl-5-methyl-. Its molecular formula is C9H11ClO and molecular weight is 170.6404. What's more, its IUPAC name is 4-Chloro-3-ethyl-5-methylphenol.
Physical properties about the 4-Chloro-3-ethyl-5-methyl-phenol are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 47.4 cm3; (9)Molar Volume: 148.9 cm3; (10)Surface Tension: 39.1 dyne/cm; (11)Density: 1.145 g/cm3; (12)Flash Point: 115.2 °C; (13)Enthalpy of Vaporization: 52.53 kJ/mol; (14)Boiling Point: 267 °C at 760 mmHg; (15)Vapour Pressure: 0.00509 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cc(O)cc1CC)C
(2) InChI: InChI=1/C9H11ClO/c1-3-7-5-8(11)4-6(2)9(7)10/h4-5,11H,3H2,1-2H3
(3) InChIKey: KOIPGHKKJDOUNZ-UHFFFAOYAN