1H-Pyrazole,4-isocyanato-5-methyl-1-phenyl- supplier

Name
4-ISOCYANATO-5-METHYL-1-PHENYL-1H-PYRAZOLE
EINECS
CAS No. 799283-97-9
Density 1.17 g/cm³
Solubility
Melting Point 56-60 °C
Formula C₁₁H₉N₃O
Boiling Point 314.4 °C at 760 mmHg
Molecular Weight 199.21
Flash Point 143.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols C,T
Synonyms 4-ISOCYANATO-5-METHYL-1-PHENYL-1H-PYRAZOLE;4-Isocyanato-5-methyl-1-phenyl-1H-pyrazole 97%;5-Methyl-1-phenyl-1H-pyrazol-4-yl isocyanate, (4-Isocyanato-5-methyl-1H-pyrazol-4-yl)benzene
PSA 47.25000
LogP 2.14800

1H-Pyrazole,4-isocyanato-5-methyl-1-phenyl- Specification

The 1H-Pyrazole,4-isocyanato-5-methyl-1-phenyl- is an organic compound with the formula C₁₁H₉N₃O. The systematic name of this chemical is 4-isocyanato-5-methyl-1-phenyl-1H-pyrazole. With the CAS registry number 799283-97-9, it is also named as 5-methyl-1-phenyl-1H-pyrazol-4-yl isocyanate.

Physical properties about 1H-Pyrazole,4-isocyanato-5-methyl-1-phenyl- are: (1)ACD/LogP: 2.94; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 47.25 Å²; (5)Index of Refraction: 1.612; (6)Molar Refractivity: 58.87 cm³; (7)Molar Volume: 169.2 cm3; (8)Polarizability: 23.33×10^-24cm³; (9)Surface Tension: 46.1 dyne/cm; (10)Density: 1.17 g/cm³; (11)Flash Point: 143.9 °C; (12)Enthalpy of Vaporization: 55.56 kJ/mol; (13)Boiling Point: 314.4 °C at 760 mmHg; (14)Vapour Pressure: 0.000467 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\c2cnn(c1ccccc1)c2C
(2)InChI: InChI=1/C11H9N3O/c1-9-11(12-8-15)7-13-14(9)10-5-3-2-4-6-10/h2-7H,1H3
(3)InChIKey: IIFVDOYRTLEGHQ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H9N3O/c1-9-11(12-8-15)7-13-14(9)10-5-3-2-4-6-10/h2-7H,1H3
(5)Std. InChIKey: IIFVDOYRTLEGHQ-UHFFFAOYSA-N

Product Name

4-ISOCYANATO-5-METHYL-1-PHENYL-1H-PYRAZOLE

1H-Pyrazole,4-isocyanato-5-methyl-1-phenyl- Specification

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