Grundinformationen
- Standard-SMILES
c1csc(-c2ccc(-c3cccs3)s2)c1- InChIKey
KXSFECAJUBPPFE-UHFFFAOYSA-N- Summenformel
- C12H8S3
- Durchschnittliche Molmasse
- 248,4 g/mol
- Monoisotopische Masse
- 247,97881326
Überblick
2,2':5',2''-terthiophene is a terthiophene.
Namen und Bezeichner
- Bevorzugter Name
- 2,2':5',2''-Terthiophene
- IUPAC
- 2,5-dithiophen-2-ylthiophene
- Englischer Name
- 2,2':5',2''-Terthiophene
- Summenformel
- C12H8S3
- Molmasse
- 248.39
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1081-34-1- PubChem CID
- 65067
- DTXSID
DTXSID2041206- ChEMBL
CHEMBL90017- ChEBI
CHEBI:10335- UNII
- 0P77RAU2RR
- EC Number
- 640-441-1
- Nikkaji
- J102.960F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 84,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 197
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 93 · 93-95 °C(lit.)
- Siedepunkt
- 160 °C · 160 °C (0.1 mmHg)
- Dichte
- 1.4602 · 1.4602 (rough estimate)
- Brechungsindex
- 1.62 · 1.6200 (estimate)
- Flammpunkt
- 160 °C/0.1mm · 160°C/0.1mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Light Yellow
- Wasserlöslichkeit
- Insoluble in water.
- Merck
- 14 · 14,9174
- BRN
- 178604 · 178604
- InChI
- InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
- InChIKey
- KXSFECAJUBPPFE-UHFFFAOYSA-N
- SMILES
- C1(C2SC(C3SC=CC=3)=CC=2)SC=CC=1
- CAS Datenbank
- 1081 · 1081-34-1(CAS DataBase Reference)
- EPA chemische Informationen
- .alpha.-Terthiophene (1081-34-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- hs_code
- 29349990
- RTECS-Nr.
- WZ9717750
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.
Verwendung und Herstellung
Anwendungen
Verwendenα-Terthienyl was first recognized as a nematicidal constituent of marigolds, but in the presence of light, it is also highly toxic to larvae of several insect species, including mosquitoes. This electron donor thiophenederivative phototoxin is biosynthesized from polyacetylene precursors and appears to function as a photosensitizer catalyzing the formation of reactive oxygen species at the target site (25).
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