CAS No.2364-54-7,6-NITROSOTHYMOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2364-54-7
Name:	6-NITROSOTHYMOL
Article Data:	11

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
Synonyms:	6-Nitrosothymol;p-Nitrosothymol;Nitrosothymol;5-methyl-4-nitroso-2-propan-2-yl-phenol;Phenol, 5-methyl-2-(1-methylethyl)-4-nitroso-;
Density:	1.1 g/cm³
Boiling Point:	318.8 °C at 760 mmHg
Flash Point:	146.6 °C
PSA:	49.66000
LogP:	3.22190

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Specification

The Thymol, 6-nitroso-, with the CAS registry number 2364-54-7, is also known as p-Nitrosothymol. This chemical's molecular formula is C₁₀H₁₃NO₂ and molecular weight is 179.22. What's more, its IUPAC name is 5-Methyl-4-nitroso-2-propan-2-ylphenol.

Physical properties of Thymol, 6-nitroso- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 124.77; (6)ACD/BCF (pH 7.4): 47.75; (7)ACD/KOC (pH 5.5): 1095.07; (8)ACD/KOC (pH 7.4): 419.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.66 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 50.28 cm³; (15)Molar Volume: 161.6 cm³; (16)Polarizability: 19.93×10^-24 cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 146.6 °C; (20)Enthalpy of Vaporization: 58.26 kJ/mol; (21)Boiling Point: 318.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000189 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-Isopropyl-5-methyl-phenol at the temperature of 0 °C. This reaction will need reagent conc. HCl, NaNO₂ and solvent Ethanol with the reaction time of 2 hours. The yield is about 75%.

Uses of Thymol, 6-nitroso-: it can be used to produce 4-Amino-2-isopropyl-5-methyl-phenol at the ambient temperature. It will need reagent Na₂S₂O₄.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C(=C1)O)C(C)C)N=O
(2)InChI: InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,12H,1-3H3
(3)InChIKey: YQVCMSSJMLGWAM-UHFFFAOYSA-N