CAS No.6123-63-3,4-ACETYL-5-METHYL-1-PHENYLPYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6123-63-3
Name:	4-ACETYL-5-METHYL-1-PHENYLPYRAZOLE
Article Data:	21

Formula:	C₁₂H₁₂N₂O
Molecular Weight:	200.24
Synonyms:	Ketone,methyl 5-methyl-1-phenylpyrazol-4-yl (8CI);1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone;1-Phenyl-4-acetyl-5-methylpyrazole;4-Acetyl-5-methyl-1-phenylpyrazole;NSC 140728;
EINECS:	228-091-4
Density:	1.11 g/cm³
Melting Point:	103-105°C
Boiling Point:	328.9 °C at 760 mmHg
Flash Point:	152.7 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	34.89000
LogP:	2.38330

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Specification

This chemical is called Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-, and its systematic name is 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one. With the molecular formula of C₁₂H₁₂N₂O, its molecular weight is 200.24. The CAS registry number of this chemical is 6123-63-3.

Other characteristics of the Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)- can be summarised as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.27; (6)ACD/BCF (pH 7.4): 20.27; (7)ACD/KOC (pH 5.5): 300; (8)ACD/KOC (pH 7.4): 300; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 60.24 cm³; (15)Molar Volume: 179.7 cm³; (16)Polarizability: 23.88×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 152.7 °C; (20)Enthalpy of Vaporization: 57.14 kJ/mol; (21)Boiling Point: 328.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000184 mmHg at 25°C.

Production method of this chemical: The Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)- could be obtained by the reactants of phenylhydrazine and 3-ethoxymethylene-pentane-2,4-dione. This reaction needs the reagent of diethyl ether.

Uses of this chemical: The Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)- could react with phenylhydrazine, and obtain the 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-ethanone-phenylhydrazone. This reaction needs the solvent of ethanol. The yield is 83 %. In addition, this reaction should be taken for 6 hours with the heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c2cnn(c1ccccc1)c2C)C
2.InChI: InChI=1/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3
3.InChIKey: FZEDJUVQMGBVRC-UHFFFAOYAZ