Thiophene-3-methanol

HCID 123570CAS 71637-34-8

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Grundinformationen

Standard-SMILES: OCc1ccsc1
InChIKey: BOWIFWCBNWWZOG-UHFFFAOYSA-N
Summenformel: C5H6OS
Durchschnittliche Molmasse: 114,17 g/mol
Monoisotopische Masse: 114,01393581

Überblick

3-Thiophenemethanol is a heteroarene.

Namen und Bezeichner

Bevorzugter Name: Thiophene-3-methanol
IUPAC: thiophen-3-ylmethanol
Englischer Name: 3-Thienylmethanol
Summenformel: C5H6OS
Molmasse: 114.17

Namen und Synonyme

3-Thiophenemethanolthiophen-3-ylmethanol71637-34-8Thiophene-3-methanolJ97T96YFJ3EINECS 275-741-8DTXSID902218831-(THIOPHEN-3-YL)METHANOLRefChem:897904DTXCID20144374275-741-83-Thienylmethanol

Weitere Namen anzeigen

3-Thiophene3-ThienlymethanolTIMTEC-BB SBB004309RARECHEM AL BD 0549(Thien-3-yl)methanol3-thiophenylmethanol3-Thiophenemethanol 98%

(thiophen-3-yl)methanolThien-3-ylmethanol3-(Hydroxymethyl)thiopheneMFCD000145343-HydroxymethylthiopheneCHEMBL764693-Thiophene methanolthiophen-3-methanol

Datenbank-Bezeichner

CAS: 71637-34-8
PubChem CID: 123570
DTXSID: DTXSID90221883
ChEMBL: CHEMBL76469
ChEBI: CHEBI:178131
UNII: J97T96YFJ3
EC Number: 275-741-8
Nikkaji: J298.979D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 48,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 86 · 86-88 °C/10 mmHg (lit.)
Dichte: 1.211 g/mL · 1.211 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.564(lit.)
Flammpunkt: 213 °F · 213 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.49 · 14.49±0.10(Predicted)
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Slightly soluble in water.
BRN: 106460 · 106460
InChI: InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKey: BOWIFWCBNWWZOG-UHFFFAOYSA-N
SMILES: C1SC=CC=1CO
CAS Datenbank: 71637 · 71637-34-8(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Thiophenemethanol(71637-34-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Anwendungen

Verwenden3-Thiophenemethanol was used in the preparation of 3-substituted thiophene conducting copolymers which has potential applications in electrochromic displays. It was also used in the synthesis of 4-(thiophene-3-ylmethoxy)phthalonitrile.