Thiophene-2,5-dicarbaldehyde

HCID 587784CAS 932-95-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(C=O)s1
InChIKey: OTMRXENQDSQACG-UHFFFAOYSA-N
Summenformel: C6H4O2S
Durchschnittliche Molmasse: 140,16 g/mol
Monoisotopische Masse: 139,99320037

Namen und Bezeichner

Bevorzugter Name: Thiophene-2,5-dicarbaldehyde
IUPAC: thiophene-2,5-dicarbaldehyde
Englischer Name: 2,5-Thiophenedicarboxaldehyde
Summenformel: C6H4O2S
Molmasse: 140.16

Namen und Synonyme

2,5-ThiophenedicarboxaldehydeThiophene-2,5-dicarbaldehyde932-95-6DTXSID503431512,5-THIOPHENENEDICARBOXALDEHYDERefChem:897896DTXCID10294231627-004-02,5-ThiophenedicarbaldehydeMFCD002165922,5-Diformylthiophene2,5-Thiophenedial

Weitere Namen anzeigen

S0509TIMTEC-BB SBB000080Thiophene-2,5-dialdehyde2,Chemicalbook5-Diformylthiophene2,5-Thiophenedicarboxaldehyde 99%

Thiophene-2,5-dicarboxaldehydeSCHEMBL1788302,5-thiophene dicarboxaldehyde2,5-Thiophenedicarboxaldehyde, 99%CS-W016463AC-51932,5-DiformylthiophenThiophene-2,5-dicarbal

Datenbank-Bezeichner

CAS: 932-95-6
PubChem CID: 587784
DTXSID: DTXSID50343151
ChEMBL: CHEMBL2229528
EC Number: 627-004-0
Nikkaji: J472.325B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 62,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-117 °C (lit.)
Siedepunkt: 226.66 °C · 226.66°C (rough estimate)
Dichte: 1.327 · 1.327 (estimate)
Brechungsindex: 1.53 · 1.5300 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
InChI: InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChIKey: OTMRXENQDSQACG-UHFFFAOYSA-N
SMILES: C1(C=O)SC(C=O)=CC=1
NIST chemische Informationen: 2 · 2,5-Thiophenedicarboxaldehyde(932-95-6)

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 41 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 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,5-Thiophenedicarboxaldehyde acts as a reagent in the synthesis of N,N''-bis-(mercaptophenylimine)thiophenedicarboxaldehyde Schiff base, and also functions as an intermediate in many organic synthesis.