Thiophen-3-carbaldehyd

3-Thiophenecarboxaldehyde

HCID 68135CAS 498-62-4
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Grundinformationen

Standard-SMILES
O=Cc1ccsc1
InChIKey
RBIGKSZIQCTIJF-UHFFFAOYSA-N
Summenformel
C5H4OS
Durchschnittliche Molmasse
112,15 g/mol
Monoisotopische Masse
111,99828575

Überblick

3-formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of thiophenes. It derives from a hydride of a thiophene.

Namen und Bezeichner

Bevorzugter Name
3-Thiophenecarboxaldehyde
IUPAC
thiophene-3-carbaldehyde
Lokaler Name
Thiophen-3-carbaldehyd
Englischer Name
3-Thiophenecarboxaldehyde
Summenformel
C5H4OS
Molmasse
112.15

Namen und Synonyme

3-ThiophenecarboxaldehydeThiophene-3-carbaldehyde498-62-43-FormylthiopheneThiophene-3-carboxaldehyde3-ThiophenaldehydeThiophene-3-aldehyde3-Thienophenecarboxyaldehydethiophen-3-carboxaldehyde3-thiophene carboxyaldehydeEINECS 207-865-5CHEBI:87611
Weitere Namen anzeigen
TH-CHO3-ThenaldehydeThiophene-3-carbaLRARECHEM AM LA 00113-THIOPHENEALDEHYDETIMTEC-BB SBB004320
3-Carboxaldehyde-thiopheneNSC 172858DTXSID2060098RefChem:95477DTXCID1040742207-865-5InChI=1/C5H4OS/c6-3-5-1-2-7-4-5/h1-4RBIGKSZIQCTIJF-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
498-62-4
PubChem CID
68135
DTXSID
DTXSID2060098
ChEMBL
CHEMBL72211
ChEBI
CHEBI:87611
EC Number
207-865-5
Nikkaji
J149.677H

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

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt
-30 °C · -30 °C
Siedepunkt
194 · 194-196 °C (lit.) 86-87 °C/20 mmHg (lit.)
Dichte
1.28 g/mL · 1.28 g/mL at 25 °C (lit.)
Dampfdruck
0.31 mm · 0.31 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.583(lit.)
Flammpunkt
165 °F · 165 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Thiophenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29339900
risk_code
22-43-36/37/38
hazard_code
Xn,Xi
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Thiophenecarboxaldehyde: ACTIVE

Anwendungen

Verwenden3-Thiophenecarboxaldehyde is used in biological studies to determine the volatile compounds formed from the interaction between organoselenium and sulfur compounds.

Vor- und 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An aldehyde that is thiophene substituted by a formyl group at position 3.

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