3,5-Xylenol, 4-nitroso- supplier

Name
3,5-Dimethyl-4-nitrosophenol
EINECS
CAS No. 19628-76-3
Article Data2
CAS DataBase
Density 1.16g/cm³
Solubility
Melting Point
Formula C₈H₉NO₂
Boiling Point 315.5 °C at 760 mmHg
Molecular Weight 151.165
Flash Point 144.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-dimethyl-4-nitroso-phenol;Phenol, 3,5-dimethyl-4-nitroso-;3, 5-Dimethyl-4-nitrosophenol;
PSA 49.66000
LogP 2.40690

3,5-Xylenol, 4-nitroso- Specification

The 3,5-Xylenol, 4-nitroso-, with CAS registry number 19628-76-3, has the systematic name of 3,5-dimethyl-4-nitrosophenol. Besides this, it is also called Phenol, 3,5-dimethyl-4-nitroso-. And the chemical formula of this chemical is C₈H₉NO₂.

Physical properties of 3,5-Xylenol, 4-nitroso-: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 38.66 Å²; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 41.24 cm³; (9)Molar Volume: 130.2 cm³; (10)Polarizability: 16.35×10^-24cm³; (11)Surface Tension: 38.5 dyne/cm; (12)Density: 1.16 g/cm³; (13)Flash Point: 144.6 °C; (14)Enthalpy of Vaporization: 57.89 kJ/mol; (15)Boiling Point: 315.5 °C at 760 mmHg; (16)Vapour Pressure:0.000236 mmHg at 25°C.

Preparation: this chemical can be prepared by propan-2-one and pentane-2,3,4-trione 3-oxime. This reaction will need reagent sodium ethoxide and solvent dimethylsulfoxide. The reaction time is 1 hour(s). The yield is about 70%.

3,5-Xylenol, 4-nitroso- can be prepared by propan-2-one and pentane-2,3,4-trione 3-oxime

You can still convert the following datas into molecular structure:
(1)SMILES: O=Nc1c(cc(O)cc1C)C
(2)InChI: InChI=1/C8H9NO2/c1-5-3-7(10)4-6(2)8(5)9-11/h3-4,10H,1-2H3
(3)InChIKey: ZVUJMNCTXGSXSQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H9NO2/c1-5-3-7(10)4-6(2)8(5)9-11/h3-4,10H,1-2H3
(5)Std. InChIKey: ZVUJMNCTXGSXSQ-UHFFFAOYSA-N

Product Name

3,5-Dimethyl-4-nitrosophenol

3,5-Xylenol, 4-nitroso- Specification

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