Basic information
- Name:
Phenol,4-chloro-2,3,5-trimethyl-
- CAS No.:
6627-94-7
- Molecular Structure:
- Formula:
- C9H11ClO
- Molecular Weight:
- 170.636
- Synonyms:
- 2,3,5-Trimethyl-4-chlorophenol;4-Chloro-2,3,5-trimethylphenol;NSC 60264;
- Density:
- 1.148 g/cm3
- Boiling Point:
- 270.9 °C at 760 mmHg
- Flash Point:
- 117.6 °C
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Specification
The Phenol,4-chloro-2,3,5-trimethyl-, with the CAS registry number 6627-94-7, has the molecular formula C9H11ClO. Besides, its molecular weight is 170.636. Its systematic name is called 4-chloro-2,3,5-trimethylphenol.
Physical properties of Phenol,4-chloro-2,3,5-trimethyl-: (1)ACD/LogP: 3.81; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.552; (6)Molar Refractivity: 47.5 cm3; (7)Molar Volume: 148.6 cm3; (8)Surface Tension: 38.8 dyne/cm; (9)Density: 1.148 g/cm3; (10)Flash Point: 117.6 °C; (11)Enthalpy of Vaporization: 52.96 kJ/mol; (12)Boiling Point: 270.9 °C at 760 mmHg; (13)Vapour Pressure: 0.00401 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(c(O)cc1C)C)C
(2)InChI: InChI=1/C9H11ClO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
(3)InChIKey: LXBONPACIOPBAZ-UHFFFAOYAB