Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI) supplier

Name
Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI)
EINECS
CAS No. 137890-05-2
Article Data6
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O
Boiling Point 221 °C at 760 mmHg
Molecular Weight 124.142
Flash Point 87.4 °C
Transport Information
Appearance light yellow to dark yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Acetyl-1-methylpyrazole;
PSA 34.89000
LogP 0.62270

Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI) Specification

The CAS registry number of Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI) is 137890-05-2. It belongs to the product category of Acetylgroup. This chemical is also named as 5-Acetyl-1-methylpyrazole. In addition, its molecular formula is C₆H₈N₂O and molecular weight is 124.14052. Its systematic name and IUPAC name are the same which is called 1-(1-methyl-1H-pyrazol-5-yl)ethanone.

Physical properties about this chemical are: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.69; (8)ACD/KOC (pH 7.4): 14.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 35.13 cm³; (14)Molar Volume: 111.3 cm³; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 87.4 °C; (18)Enthalpy of Vaporization: 45.74 kJ/mol; (19)Boiling Point: 221 °C at 760 mmHg; (20)Vapour Pressure: 0.11 mmHg at 25°C.

Uses of Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI): it can be used to produce [4-(2-methyl-2H-pyrazole-3-carbonyl)-2-oxy-furazan-3-yl]-(2-methyl-2H-pyrazol-3-yl)-methanone at temperature of 70 °C. It will need reagents HNO₃ (d=1.51), 20percent oleum, AcOH with reaction time of 1 hour. The yield is about 55 %.

1-(1-methyl-1H-pyrazol-5-yl)- (9CI) can be used to produce [4-(2-methyl-2H-pyrazole-3-carbonyl)-2-oxy-furazan-3-yl]-(2-methyl-2H-pyrazol-3-yl)-methanone

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccnn1C)C
(2)InChI: InChI=1/C6H8N2O/c1-5(9)6-3-4-7-8(6)2/h3-4H,1-2H3
(3)InChIKey: UXNMMULCZUAIHE-UHFFFAOYAW

Product Name

Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI)

Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI) Specification

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