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CAS No.: | 57731-17-6 |
---|---|
Name: | 2-BROMO-1-(5-CHLORO-THIOPHEN-2-YL)-ETHANONE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H4BrClOS |
Molecular Weight: | 239.52 |
Synonyms: | 2-(2-Bromoacetyl)-5-chlorothiophene;2-(Bromoacetyl)-5-chlorothiophene;2-Bromo-1-(5-chloro-2-thienyl)ethanone;2-Bromo-1-(5-chlorothiophen-2-yl)ethanone;2-Chloro-5-(bromoacetyl)thiophene;2'-Bromoaceto(5-chloro-thiophenone);2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone; |
Density: | 1.766 g/cm3 |
Melting Point: | 73-75 °C |
Boiling Point: | 309.2 °C at 760 mmHg |
Flash Point: | 140.8 °C |
Hazard Symbols: | C |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 45.31000 |
LogP: | 2.97910 |
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The CAS register number of Ethanone, 2-bromo-1-(5-chloro-2-thienyl)- is 57731-17-6. It also can be called as 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone and the IUPAC name about this chemical is 2-bromo-1-(5-chlorothiophen-2-yl)ethanone. The molecular formula about this chemical is C6H4BrClOS and the molecular weight is 239.52.
Physical properties about Ethanone, 2-bromo-1-(5-chloro-2-thienyl)- are: (1)(1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 63.23; (5)ACD/BCF (pH 7.4): 63.23; (6)ACD/KOC (pH 5.5): 677.19; (7)ACD/KOC (pH 7.4): 677.19; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 47.29 cm3; (13)Molar Volume: 135.5 cm3; (14)Polarizability: 18.74x10-24cm3; (15)Surface Tension: 51.7 dyne/cm; (16)Flash Point: 140.8 °C; (17)Enthalpy of Vaporization: 54.99 kJ/mol; (18)Boiling Point: 309.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00065 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(Cl)cc1)CBr
(2)InChI: InChI=1/C6H4BrClOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
(3)InChIKey: YIKFQMAUWNYCHK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H4BrClOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
(5)Std. InChIKey: YIKFQMAUWNYCHK-UHFFFAOYSA-N