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

Name
Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)
EINECS
CAS No. 23694-02-2
Article Data17
CAS DataBase
Density 1.18 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI);
PSA 22.00000
LogP 1.44660

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

Product Name

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

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

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