1(2H)-Isoquinolinone,2-methyl-5-nitro- supplier

Name
2-Methyl-5-nitro-2H-isoquinolin-1-one
EINECS
CAS No. 42792-96-1
Article Data1
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₃
Boiling Point 401.4 °C at 760 mmHg
Molecular Weight 204.185
Flash Point 196.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-nitro-2H-isoquinolin-1-one;2-Methyl-5-nitroisocarbostyryl;NSC 218341;
PSA 67.82000
LogP 1.96990

1(2H)-Isoquinolinone,2-methyl-5-nitro- Specification

The 1(2H)-Isoquinolinone, 2-methyl-5-nitro-, with the CAS registry number of 42792-96-1, is also known as 2-Methyl-5-nitro-2H-isoquinolin-1-one. This chemical's molecular formula is C₁₀H₈N₂O₃ and molecular weight is 204.1821. What's more, its IUPAC name is 2-Methyl-5-nitroisoquinolin-1-one.

Physical properties about 1(2H)-Isoquinolinone, 2-methyl-5-nitro- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 66.13 Å²; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 52.98 cm³; (9)Molar Volume: 148.9 cm³; (10)Surface Tension: 56.7 dyne/cm; (11)Density: 1.37 g/cm³; (12)Flash Point: 196.5 °C; (13)Enthalpy of Vaporization: 65.24 kJ/mol; (14)Boiling Point: 401.4 °C at 760 mmHg; (15)Vapour Pressure: 1.19E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Methylamine with 5-Nitroisocoumarin by heating. The reaction needs solvent Methanol. The reaction time is 1 hour. The yield is about 79.1 %.

Uses of 1(2H)-Isoquinolinone, 2-methyl-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 5-Amino-2-methyl-2H-isoquinolin-1-one. The reaction needs reagent Titanium (III) chloride and solvent aq. Acetic acid. The reaction time is 7 minutes with reaction temperature of 21 °C. The yield is about 85.7 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cccc1c2\C=C/N(C1=O)C
(2) InChI: InChI=1/C10H8N2O3/c1-11-6-5-7-8(10(11)13)3-2-4-9(7)12(14)15/h2-6H,1H3
(3) InChIKey: ZJFKSSNHLIRRHQ-UHFFFAOYAE

Product Name

2-Methyl-5-nitro-2H-isoquinolin-1-one

1(2H)-Isoquinolinone,2-methyl-5-nitro- Specification

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