3-Iodthiophen

3-Iodothiophene

HCID 66332CAS 10486-61-0

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Grundinformationen

Standard-SMILES: Ic1ccsc1
InChIKey: WGKRMQIQXMJVFZ-UHFFFAOYSA-N
Summenformel: C4H3IS
Durchschnittliche Molmasse: 210,04 g/mol
Monoisotopische Masse: 209,9000191

Namen und Bezeichner

Bevorzugter Name: 3-Iodothiophene
IUPAC: 3-iodothiophene
Lokaler Name: 3-Iodthiophen
Englischer Name: 3-IODOTHIOPHENE
Summenformel: C4H3IS
Molmasse: 210.04

Namen und Synonyme

3-Iodothiophene10486-61-0Thiophene, 3-iodo-EINECS 234-009-8DTXSID60146791RefChem:94472DTXCID2069282234-009-8InChI=1/C4H3IS/c5-4-1-2-6-3-4/h1-3WGKRMQIQXMJVFZ-UHFFFAOYSA-NMFCD000379013-Thienyl Iodide

Weitere Namen anzeigen

3-lodothiopheneiodothiopheneThien-3-yl iodide3-Iodothiophene>Thiophene, 3-iodo-3-Iodine Thiophene3-Iodothiophene >=97%

BIDD:GT0252SCHEMBL150265AKOS015853830CS-W004948AS-17578I0380EN300-1085553-Iodothiophene, stab. with copper

Datenbank-Bezeichner

CAS: 10486-61-0
PubChem CID: 66332
DTXSID: DTXSID60146791
EC Number: 234-009-8
Nikkaji: J149.962I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 46,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Schmelzpunkt: -13.4 °C · -13.4 °C
Siedepunkt: 75 °C/14 · 75 °C/14 mmHg (lit.)
Dichte: 2.066 g/mL · 2.066 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.657(lit.)
Flammpunkt: 173 °F · 173 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow
BRN: 105451 · 105451
InChI: InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H
InChIKey: WGKRMQIQXMJVFZ-UHFFFAOYSA-N
SMILES: C1SC=CC=1I
CAS Datenbank: 10486 · 10486-61-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (12.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/38
safety_code: 26-36/37/39-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Iodothiophene was used in the synthesis of 3-thienylzinc iodide via reaction with zinc, followed by coupling with aryl halides. It was also used in the preparation of 3-(perfluorooctyl)thiophene, required for the synthesis of poly(3-perfluorooctylthiophene) conjugated polymer.