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CAS No.: | 31772-42-6 |
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Name: | Ethanone, 2-chloro-1-(5-methyl-2-thienyl)- (9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H7ClOS |
Molecular Weight: | 174.64788 |
Synonyms: | Ketone,chloromethyl 5-methyl-2-thienyl (8CI);2-Chloro-1-(5-methyl-2-thienyl)ethanone;2-chloro-1-(5-methylthiophen-2-yl)ethanone;ethanone, 2-chloro-1-(5-methyl-2-thienyl)-; |
Density: | 1.264 g/cm3 |
Melting Point: | 41-42℃ (DEC.) |
Boiling Point: | 283.9 °C at 760 mmHg |
Flash Point: | 125.5 °C |
PSA: | 45.31000 |
LogP: | 2.47800 |
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The Ethanone,2-chloro-1-(5-methyl-2-thienyl)-, with the CAS registry number 31772-42-6, has the systematic name and IUPAC name of 2-chloro-1-(5-methylthiophen-2-yl)ethanone. It belongs to the product category of Acetylhalide. And the molecular formula of the chemical is C7H7ClOS.
The characteristics of Ethanone,2-chloro-1-(5-methyl-2-thienyl)- are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 44.33 cm3; (9)Molar Volume: 138.1 cm3; (10)Polarizability: 17.57 10-24cm3; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.264 g/cm3; (13)Flash Point: 125.5 °C; (14)Enthalpy of Vaporization: 52.29 kJ/mol; (15)Boiling Point: 283.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00307 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1sc(cc1)C)CCl
(2)InChI: InChI=1/C7H7ClOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3H,4H2,1H3
(3)InChIKey: IQLSTLPOEOWEOC-UHFFFAOYAB