CAS No.6831-91-0,5-METHYL-1-PHENYL-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6831-91-0
Name:	5-METHYL-1-PHENYL-1H-PYRAZOLE
Article Data:	23

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	Pyrazole,5-methyl-1-phenyl- (6CI,7CI,8CI);1-Phenyl-5-methylpyrazole;3-Methyl-2-phenylpyrazole;5-Methyl-1-phenyl-1H-pyrazole;5-Methyl-1-phenylpyrazole;
Density:	1.04 g/cm³
Boiling Point:	255 °C at 760 mmHg
Flash Point:	108 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	17.82000
LogP:	2.18070

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Specification

The CAS register number of 1H-Pyrazole,5-methyl-1-phenyl- is 6831-91-0. It also can be called as 1-Phenyl-5-methylpyrazole and the systematic name about this chemical is 5-methyl-1-phenyl-1H-pyrazole. The molecular formula about this chemical is C₁₀H₁₀N₂ and the molecular weight is 158.2. It belongs to the following product categorie which include pharmacetical.

Physical properties about 1H-Pyrazole,5-methyl-1-phenyl- are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 53.39; (5)ACD/BCF (pH 7.4): 53.39; (6)ACD/KOC (pH 5.5): 599.94; (7)ACD/KOC (pH 7.4): 599.99; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 50.35 cm³; (13)Molar Volume: 151 cm³; (14)Polarizability: 19.96x10^-24cm³; (15)Surface Tension: 38.8 dyne/cm; (16)Density: 1.04 g/cm³; (17)Flash Point: 108 °C; (18)Enthalpy of Vaporization: 47.25 kJ/mol; (19)Boiling Point: 255 °C at 760 mmHg; (20)Vapour Pressure: 0.0268 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(n1c2ccccc2)C
(2)InChI: InChI=1/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
(3)InChIKey: GIPOQOUSJKAZMC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
(5)Std. InChIKey: GIPOQOUSJKAZMC-UHFFFAOYSA-N