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| CAS No.: | 89581-82-8 |
|---|---|
| Name: | 2-ACETYL-3-CHLOROTHIOPHENE |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5ClOS |
| Molecular Weight: | 160.624 |
| Synonyms: | Ketone,3-chloro-2-thienyl methyl (7CI);2-Acetyl-3-chlorothiophene; |
| Density: | 1.312 g/cm3 |
| Boiling Point: | 219.9 °C at 760 mmHg |
| Flash Point: | 86.8 °C |
| Hazard Symbols: |
 Xi,Xn
|
| Risk Codes: | 20/21/22-43-36-22 |
| Safety: | 23-36/37-26 |
| Transport Information: | UN2810 |
| PSA: | 45.31000 |
| LogP: | 2.60410 |
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- Total:37 Page 1 of 1 1
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Specification
The 2-Acetyl-3-chlorothiophene ,its cas register number is 89581-82-8.It also can be called as 1-(3-Chloro-2-thienyl)-1-ethanone and the IUPAC name about this chemicals is 1-(3-Chlorothiophen-2-yl)ethanone .Following are raw materials about this chemicla: Hydrochloric acid-->Dichloromethane-->Aluminium chloride-->Acetyl chloride-->3-Chlorothiophene .
Following are the chemical properties about 2-Acetyl-3-chlorothiophene :(1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 45.31Å2; (5)Index of Refraction: 1.559; (6)Molar Refractivity: 39.56 cm3; (7)Molar Volume: 122.3 cm3; (8)Polarizability: 15.68x10-24cm3; (9)Surface Tension: 41.9 dyne/cm; (10)Enthalpy of Vaporization: 45.64 kJ/mol; (11)Vapour Pressure: 0.116 mmHg at 25°C; (12) Refractive index: n20/D 1.5830(lit.).
The 2-Acetyl-3-chlorothiophene is a dangerous chemical, because it is harmful by inhalation, in contact with skin and if swallowed and harmful if swallowed. Also it may cause sensitization by skin contact. In the using process, please be more careful, so you need to wear suitable protective clothing and do not breathe vapour. In addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Except these safety informations, there are also exist other data like HazardClass is 6.1 and PackingGroup is III.
There are some first aid measures: After inhalation, please supply fresh air. If required, provide artificial respiration, and keep patient warm, also consult doctor if symptoms persist; After skincontact, please seek immediate medical advice, then instantly wash with water and soap and rinse thoroughly; After eye contact, please seek immediate medical advice, and rinse opened eye for several minutes under running water. Then consult doctor; After swallowing, please seek immediate medical advice.
This chemicals can be described computed from structure:
(1)Canonical SMILES: CC(=O)C1=C(C=CS1)C
(2)InChI: InChI=1S/C6H5ClOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
(3)InChIKey: GVVITKMOMFXUKN-UHFFFAOYSA-N