Thiophen-2-carbaldehyd

2-Thiophenecarboxaldehyde

HCID 7364CAS 98-03-3
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Grundinformationen

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 Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
45,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesCoriolis coupling
LogP · 2 Einträge

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 (lit.) 75-77 °C/11 mmHg (lit.)
Dichte
1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.591(lit.)
Flammpunkt
172 °F · 172 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 4 Einträge

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
29349990
RTECS-Nr.
XM8135000

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing Information2-Thiophenecarboxaldehyde: ACTIVE
Anwendungen · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-Thiophenecarboxaldehyde is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde.

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