1-(4-Methyl-1H-pyrrol-3-yl)ethanone supplier

Name
1-(4-Methyl-1H-pyrrol-3-yl)ethanone
EINECS
CAS No. 18818-30-9
Article Data10
CAS DataBase
Density 1.065 g/cm³
Solubility
Melting Point 117 °C
Formula C₇H₉NO
Boiling Point 240.6 °C at 760 mmHg
Molecular Weight 123.155
Flash Point 105.4 °C
Transport Information
Appearance colorless transparent liquid or white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,methyl 4-methylpyrrol-3-yl (7CI,8CI);3-Acetyl-4-methylpyrrole;Desoxyverrucarin E;
PSA 32.86000
LogP 1.52570

1-(4-Methyl-1H-pyrrol-3-yl)ethanone Specification

The 1-(4-Methyl-1H-pyrrol-3-yl)ethanone with the CAS number 18818-30-9 is also called Ethanone,1-(4-methyl-1H-pyrrol-3-yl)-. Its molecular formula is C₇H₉NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-(4-Methyl-1H-pyrrol-3-yl)ethanone are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å²; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 35.53 cm³; (9)Molar Volume: 115.5 cm³; (10)Polarizability: 14.08×10^-24cm³; (11)Surface Tension: 39.4 dyne/cm; (12)Enthalpy of Vaporization: 47.76 kJ/mol; (13)Vapour Pressure: 0.0375 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cnc1)C)C
(2)InChI: InChI=1/C7H9NO/c1-5-3-8-4-7(5)6(2)9/h3-4,8H,1-2H3
(3)InChIKey: CBTWAEGIWMBHTC-UHFFFAOYAC

Product Name

1-(4-Methyl-1H-pyrrol-3-yl)ethanone

1-(4-Methyl-1H-pyrrol-3-yl)ethanone Specification

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