2,2':5',2''-Terthiophene

HCID 65067CAS 1081-34-1

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

2,2':5',2''-Terthiophene1081-34-1alpha-Terthienyl2,2',5',2''-Terthienyl2,5-dithiophen-2-ylthiophene0P77RAU2RRCHEBI:103352,2,5,2''-terthiopheneRefChem:555954640-441-1alpha-Terthiophene2,5-Di(2-thienyl)thiophene
Weitere Namen anzeigen
α-TerthiopheneterthienylTERTHIOPHENE3THTThS11302,2':5'2,2':5',2a-Terthienyl5-BroMo-[2,2'
2,5-bis(2-thienyl)thiopheneMFCD00012167C12H8S35-(thiophen-2-yl)-2,2'-bithiopheneDTXSID20412062,2:5,2-Terthiophene.alpha.-Terthienyl2,2':5'2''-Terthiophene

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesAngular frequency
Collision Cross Section146.4 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041206]

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

Sicherheitsdaten

F
8-10
wgk
3
hs_code
29349990
RTECS-Nr.
WZ9717750
risk_code
36/37/38
safety_code
22-24/25

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

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

UsesSynthetic Polymer MALDI Matrix Compounds
Anwendungen · 1 Eintrag

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).

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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