Thiophen-2-ethanol

2-Thiopheneethanol

HCID 79400CAS 5402-55-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OCCc1cccs1
InChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-N
Summenformel: C6H8OS
Durchschnittliche Molmasse: 128,19 g/mol
Monoisotopische Masse: 128,02958588

Überblick

2-(2-Thienyl)ethanol is a heteroarene.

Namen und Bezeichner

Bevorzugter Name: 2-Thiopheneethanol
IUPAC: 2-thiophen-2-ylethanol
Lokaler Name: Thiophen-2-ethanol
Englischer Name: 2-Thiopheneethanol
Summenformel: C6H8OS
Molmasse: 128.19

Namen und Synonyme

2-Thiopheneethanol5402-55-12-(2-Thienyl)ethanol2-(2-Hydroxyethyl)thiopheneThiophen-2-ethanolEthanol, 2-(2-thienyl)-EINECS 226-452-0NSC 5136DTXSID2063840EC 226-452-0RefChem:483791DTXCID4041573

Weitere Namen anzeigen

2-THIENYLETHANOL2- thiophenealcohol2-ThiophenylethanolTHIOPHENE-2-ETHYANOL

226-452-0Thiophene-2-ethanol2-(thiophen-2-yl)ethanol2-(THIOPHEN-2-YL)ETHAN-1-OL2-thiophen-2-ylethanol2-THIOPHENETHANOLThiopheneethanolMFCD00005462

Datenbank-Bezeichner

CAS: 5402-55-1
PubChem CID: 79400
DTXSID: DTXSID2063840
ChEBI: CHEBI:195139
UNII: 332ZDU4HDC
EC Number: 226-452-0
Nikkaji: J213E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 48,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 65,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSurface tension

Physikochemische Eigenschaften

Siedepunkt: 108 · 108-109 °C/13 mmHg (lit.)
Dichte: 1.153 g/mL · 1.153 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.551(lit.)
Flammpunkt: 214 °F · 214 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
pka: 14.77 · 14.77±0.10(Predicted)
Farbe: Clear light yellow to gray-green or brownish
Wasserlöslichkeit: slightly soluble
BRN: 106985 · 106985
InChI: 1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
InChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-N
SMILES: OCCc1cccs1
LogP: 1.04 · 1.040 (est)
CAS Datenbank: 5402 · 5402-55-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Thiopheneethanol(5402-55-1)
EPA chemische Informationen: 2 · 2-Thiopheneethanol (5402-55-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 76.5% (13 of 17) of all reports.

Warning

H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 21-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12422

2-Thiopheneethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (23.5%)

Sicherheitsdaten

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-36-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Thiopheneethanol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Thiopheneethanol is a thiophene derivative used in the preparation of oligothiophene isothiocyanates as fluorescent markers for biopolymers. 2-Thiopheneethanol is also used in the preparation of oth er biologically active compounds such as the analgesic Sulfentanyl and the antithrombotic Clopidogrel Hydrogen Sulfate (C587250).