Thiophen-2-carbaldehyd
2-Thiophenecarboxaldehyde
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Grundinformationen
- CAS
98-03-3- Standard-SMILES
O=Cc1cccs1- InChIKey
CNUDBTRUORMMPA-UHFFFAOYSA-N- Summenformel
- C5H4OS
- Durchschnittliche Molmasse
- 112,15 g/mol
- Monoisotopische Masse
- 111,99828575
Überblick
Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is an aldehyde and a member of thiophenes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Thiophenecarboxaldehyde
- IUPAC
- thiophene-2-carbaldehyde
- Lokaler Name
- Thiophen-2-carbaldehyd
- Englischer Name
- 2-Thiophenecarboxaldehyde
- Summenformel
- C5H4OS
- Molmasse
- 112.15
Namen und Synonyme
Thiophene-2-carbaldehyde2-Thiophenecarboxaldehyde98-03-32-ThiophenealdehydeThiophene-2-carboxaldehyde2-Thienylaldehyde2-Thienylcarboxaldehyde2-Thienaldehyde2-Thiophene carboxaldehydealpha-Formylthiophenealpha-ThiophenecarboxaldehydeIW05BB9XBM
Weitere Namen anzeigen
formylthiopheneS05082-Thienal2-Theldehyde
DTXSID7052656RefChem:483769DTXCID4031229202-629-82-ThenaldehydeThiophene-2-aldehyde2-FORMYLTHIOPHENE2-Thiophenecarbaldehyde
Datenbank-Bezeichner
- CAS
98-03-3- PubChem CID
- 7364
- DTXSID
DTXSID7052656- ChEMBL
CHEMBL328441- ChEBI
CHEBI:87301- UNII
- IW05BB9XBM
- EC Number
- 202-629-8
- Nikkaji
- J37.032K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 45,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 72,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesCoriolis coupling
LogP
1.02
1.02
Boiling Point75.00 to 77.00 °C. @ 11.00 mm Hg
Vapor Pressure0.55 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 10 °C · <10°C
- Siedepunkt
- 198 °C · 198 °C (388 °F; 471 K)
- Dichte
- 1.2 g/mL · 1.2 g/mL
- Brechungsindex
- 1.59 · 1.59
- Flammpunkt
- 78 °C · 78 °C
- storage temp.
- 2 · 2-8°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (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.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Thiophenecarboxaldehyde
Commission 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/18661
2-Formylthiophene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate eye and mild skin irritant; [RTECS] An irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Thiophene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810
- hs_code
- 2934999090
- RTECS-Nr.
- XM8135000
- risk_code
- 22-36/37/38-43
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
General Manufacturing Information2-Thiophenecarboxaldehyde: ACTIVE
Anwendungen
Beschreibung2-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.
VerwendenThiophene derivatives, introducing thenyl group into organic compounds.
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