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HCID 7364Erstellt: 25. Oktober 2026

Thiophen-2-carbaldehyd

THIOPHENE-2-CARBALDEHYDE · 2-THIOPHENECARBOXALDEHYDE · THIOPHENE-2-CARBOXALDEHYDE · THIOPHENE-2-ALDEHYDE · 2-THIOPHENECARBALDEHYDE · 2-THENALDEHYDE · formylthiophene · S0508

https://huagongshe.com/de/chemical/7364

Molekülstruktur von Thiophen-2-carbaldehyd

Identifikatoren & physikalische Daten

CAS No.98-03-3
SummenformelC5H4OS
Durchschnittliche Molmasse112,15 g/mol
Monoisotopische Masse111,99828575 g/mol
SMILESO=Cc1cccs1
InChIKeyCNUDBTRUORMMPA-UHFFFAOYSA-N
PubChem CID7364
ChEMBLCHEMBL328441
ChEBICHEBI:87301
EC No.202-629-8
DTXSIDDTXSID7052656
Lokaler NameThiophen-2-carbaldehyd

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)45,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome7
Formalladung0
Komplexität72,5
StoffklassenOther Classes -> Thiophenes
SpringerMaterials PropertiesCoriolis coupling
LogP (Verteilungskoeffizient)1.02
Siedepunkt75.00 to 77.00 °C. @ 11.00 mm Hg198 °C (lit.) 75-77 °C/11 mmHg (lit.)
Dampfdruck0.55 [mmHg]
Physical DescriptionLiquid[Sigma-Aldrich MSDS]
Schmelzpunkt<10°C
Dichte1.2 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.591(lit.)
Flammpunkt172 °F
Lagerbedingungen2-8°C
LöslichkeitChloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)insoluble
Aggregatzustandliquid (clear)
Farbeclear yellow
Wichte1.2
Geruchsulfurous
Geruchsartsulfurous
BRN105819
InChI1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKeyCNUDBTRUORMMPA-UHFFFAOYSA-N
SMILES[H]C(=O)c1cccs1
LogP (Verteilungskoeffizient)1.020
CAS Datenbank98-03-3(CAS DataBase Reference)
NIST chemische Informationen2-Thiophenecarboxaldehyde(98-03-3)
EPA chemische Informationen2-Thiophenecarboxaldehyde (98-03-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 152 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: 2-ThiophenecarboxaldehydeCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 25-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/186612-Formylthiophene: Does not have an individual approval but may be used under an appropriate group standard
GefahrenübersichtA moderate eye and mild skin irritant[RTECS] An irritantHarmful by ingestion[Sigma-Aldrich MSDS] See Thiophene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
F9
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2810
Zollcode29349990
RTECS-Nr.XM8135000
R-Sätze (R)22-36/37/38-43
GefahrensymboleXn,Xi
hazard_noteIrritant
Sicherheitshinweise (S)36/37/39-37-24-36-26
Lagerklasse10 - Combustible liquids
GefahrenklasseAcute Tox. 4 Oral

Anwendungen & Verwendung

Beschreibung

2-Thiophenecarboxaldehyde, also known as alpha-formylthiophene or 2-thienylaldehyde, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-Thiophenecarboxaldehyde is a sulfurous tasting compound. 2-Thiophenecarboxaldehyde has been detected, but not quantified in, asparagus (Asparagus officinalis). This could make 2-thiophenecarboxaldehyde a potential biomarker for the consumption of these foods. 2-Thiophenecarboxaldehyde is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites.

Verwenden

Thiophene derivatives, introducing thenyl group into organic compounds.