5-Methyl-1-(4-nitrophenyl)-1H-pyrazole supplier

Name
5-Methyl-1-(4-nitrophenyl)-1H-pyrazole
EINECS
CAS No. 13788-99-3
Article Data1
CAS DataBase
Density 1.298 g/cm³
Solubility
Melting Point
Formula C₁₀H₉N₃O₂
Boiling Point 344.291 °C at 760 mmHg
Molecular Weight 203.1974
Flash Point 162.022 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-methyl-1-(4-nitro-phenyl)-pyrazole;5-methyl-1-(4-nitro-phenyl)-1H-pyrazole;1-(p-Nitrophenyl)-5-methylpyrazol;1-<4-Nitro-phenyl>-5-methyl-pyrazol;5-Methyl-1(p-nitrophenyl)pyrazol;
PSA 63.64000
LogP 2.61210

5-Methyl-1-(4-nitrophenyl)-1H-pyrazole Specification

The CAS registry number of the 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole is 13788-99-3. This chemical's molecular formula is C₁₀H₉N₃O₂ and molecular weight is 203.1974. What's more, its systematic name is 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole.

Physical properties about 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 68; (6)ACD/BCF (pH 7.4): 68; (7)ACD/KOC (pH 5.5): 710; (8)ACD/KOC (pH 7.4): 710; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 56.016 cm³; (15)Molar Volume: 156.56 cm³; (16)Polarizability: 22.206×10^-24 cm³; (17)Surface Tension: 53.127 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 162.022 °C; (20)Enthalpy of Vaporization: 56.497 kJ/mol; (21)Boiling Point: 344.291 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)n2nccc2C
(2) InChI: InChI=1/C10H9N3O2/c1-8-6-7-11-12(8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
(3) InChIKey: BKPVGIAXVCFLSN-UHFFFAOYAZ

Product Name

5-Methyl-1-(4-nitrophenyl)-1H-pyrazole

5-Methyl-1-(4-nitrophenyl)-1H-pyrazole Specification

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