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| CAS No.: | 40017-58-1 |
|---|---|
| Name: | 2-Amino-3-(2-chlorobenzoyl)thiophene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H8ClNOS |
| Molecular Weight: | 237.70 |
| Synonyms: | (2-aminothiophen-3-yl)(2-chlorophenyl)methanone;(2-Amino-3-thienyl)(2-chlorophenyl)methanone;methanone, (2-amino-3-thienyl)(2-chlorophenyl)-; |
| Density: | 1.388 g/cm3 |
| Melting Point: | 137-139℃ |
| Boiling Point: | 430.5 °C at 760 mmHg |
| Flash Point: | 214.2 °C |
| PSA: | 71.33000 |
| LogP: | 3.79590 |
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- Total:14 Page 1 of 1 1
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Specification
The Methanone, (2-amino-3-thienyl)(2-chlorophenyl)-, with the CAS registry number 40017-58-1, has the systematic name of (2-aminothiophen-3-yl)(2-chlorophenyl)methanone. And the molecular formula of this chemical is C11H8ClNOS. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Methanone, (2-amino-3-thienyl)(2-chlorophenyl)- are as following: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 57.53 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 90.76 cm3; (9)Molar Volume: 254.6 cm3; (10)Polarizability: 35.98ch310-24cm3; (11)Surface Tension: 53.6 dyne/cm; (12)Density: 1.269 g/cm3; (13)Flash Point: 268.9 °C; (14)Enthalpy of Vaporization: 79.42 kJ/mol; (15)Boiling Point: 521.1 °C at 760 mmHg; (16)Vapour Pressure: 5.87E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(=O)c3c2cc(OCc1ccccc1)ccc2nc3
(2)InChI: InChI=1/C19H17NO4/c1-2-23-19(22)18(21)16-11-20-17-9-8-14(10-15(16)17)24-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3
(3)InChIKey: GEOTYZHKCQCORI-UHFFFAOYAT