2-Acetylthiophene - CAS 88-15-3
Catalog: |
BB038754 |
Product Name: |
2-Acetylthiophene |
CAS: |
88-15-3 |
Synonyms: |
1-thiophen-2-ylethanone |
IUPAC Name: | 1-thiophen-2-ylethanone |
Description: | 2-Acetylthiophene (CAS# 88-15-3) is used in the synthesis of organoboranes as well as chalcone derivatives as anti-inflammatories. |
Molecular Weight: | 126.18 |
Molecular Formula: | C6H6OS |
Canonical SMILES: | CC(=O)C1=CC=CS1 |
InChI: | InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 |
InChI Key: | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
Boiling Point: | 214 °C |
Melting Point: | 10-11 °C |
Flash Point: | 91°C |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
Appearance: | Yellow to brown liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005442 |
LogP: | 1.95070 |
Refractive Index: | 1.564-1.568 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.36 [mmHg] |
GHS Hazard Statement: | H302 (87.92%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113502491-A | Electrochemical preparation method of Tioxazafen and atrareum intermediate | 20210725 |
CN-113429380-A | Preparation method of duloxetine | 20210714 |
CN-113214283-A | Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application | 20210412 |
CN-112956672-A | Plant fried chicken flavor flavoring and preparation method and application thereof | 20210330 |
CN-112898129-A | Application of nitrogen heterocyclic mercaptan cuprous compound in carbonyl compound photocatalytic reaction | 20210324 |
PMID | Publication Date | Title | Journal |
22594255 | 20120501 | Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives | Acta poloniae pharmaceutica |
22589899 | 20120401 | N,N'-Bis[(E)-1-(thio-phen-3-yl)ethyl-idene]ethane-1,2-diamine | Acta crystallographica. Section E, Structure reports online |
22099672 | 20111215 | Cobalt(II) selective membrane electrode based on palladium(II) dichloro acetylthiophene fenchone azine | Talanta |
21620762 | 20110901 | Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22059026 | 20110901 | N,N'-Bis[1-(thiophen-2-yl)ethylidene]ethane-1,2-diamine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.01393598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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