Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-chloro-1-(5-methylthien-2-yl)ethanone |
EINECS | N/A |
CAS No. | 31772-42-6 | Density | 1.264 g/cm3 |
PSA | 45.31000 | LogP | 2.47800 |
Solubility | N/A | Melting Point |
41-42℃ (DEC.) |
Formula | C7H7ClOS | Boiling Point | 283.9 °C at 760 mmHg |
Molecular Weight | 174.64788 | Flash Point | 125.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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)-; |
Article Data | 6 |
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