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Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-2-yl)-

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Name

Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-2-yl)-

EINECS N/A
CAS No. 23694-02-2 Density 1.18 g/cm3
PSA 22.00000 LogP 1.44660
Solubility N/A Melting Point 47 °C
Formula C7H8ClNO Boiling Point 253.1 °C at 760 mmHg
Molecular Weight 157.6 Flash Point 106.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23694-02-2 (Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)) Hazard Symbols N/A
Synonyms

Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI);

Article Data 17

Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- Specification

The Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-2-yl)-, with the CAS registry number of 23694-02-2, is also known as Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI). It belongs to the product category of Acetylhalide. This chemical's molecular formula is C7H8ClNO and molecular weight is 157.60. What's more, its IUPAC name is 2-Chloro-1-(1-methylpyrrol-2-yl)ethanone.

Physical properties about the Ethanone,2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.56; (6)ACD/BCF (pH 7.4): 2.56; (7)ACD/KOC (pH 5.5): 68.14; (8)ACD/KOC (pH 7.4): 68.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 41.47 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 106.9 °C; (19)Enthalpy of Vaporization: 49.05 kJ/mol; (20)Boiling Point: 253.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0186 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccn1C)CCl
(2) InChI: InChI=1/C7H8ClNO/c1-9-4-2-3-6(9)7(10)5-8/h2-4H,5H2,1H3
(3) InChIKey: XOKIPANBKVPEEZ-UHFFFAOYAY

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