3-Methyl-1,5,6,7-tetrahydroindazol-4-one supplier

Name
3-methyl-6,7-dihydro-1H-indazol-4(5H)-one
EINECS
CAS No. 63446-38-8
Article Data8
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₈H₁₀N₂O
Boiling Point 369 °C at 760 mmHg
Molecular Weight 150.1778
Flash Point 180.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3-methyl-;
PSA 45.75000
LogP 1.23710

3-Methyl-1,5,6,7-tetrahydroindazol-4-one Specification

The 3-Methyl-1,5,6,7-tetrahydroindazol-4-one, with the CAS registry number 63446-38-8, is also known as 4H-Indazol-4-one, 1,5,6,7-tetrahydro-3-methyl-. This chemical's molecular formula is C₈H₁₀N₂O and molecular weight is 150.1778. What's more, its systematic name is called 3-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one.

Physical properties about 3-Methyl-1,5,6,7-tetrahydroindazol-4-one are: (1)ACD/LogP: 1.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 4.57; (7)ACD/KOC (pH 5.5): 103.34; (8)ACD/KOC (pH 7.4): 103.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 120.5 cm³; (16)Polarizability: 16.06×10^-24 cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 180.5 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 369 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1c(nnc1C)CCC2
(2) InChI: InChI=1/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
(3) InChIKey: VROXGINCMQLXRS-UHFFFAOYAU

Product Name

3-methyl-6,7-dihydro-1H-indazol-4(5H)-one

3-Methyl-1,5,6,7-tetrahydroindazol-4-one Specification

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