4-Bromthiophen-2-carbaldehyd

4-Bromothiophene-2-carbaldehyde

HCID 87792CAS 18791-75-8

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Grundinformationen

Standard-SMILES: O=Cc1cc(Br)cs1
InChIKey: PDONIKHDXYHTLS-UHFFFAOYSA-N
Summenformel: C5H3BrOS
Durchschnittliche Molmasse: 191,05 g/mol
Monoisotopische Masse: 189,90879782

Namen und Bezeichner

Bevorzugter Name: 4-Bromothiophene-2-carbaldehyde
IUPAC: 4-bromothiophene-2-carbaldehyde
Lokaler Name: 4-Bromthiophen-2-carbaldehyd
Englischer Name: 4-Bromothiophene-2-carboxaldehyde
Summenformel: C5H3BrOS
Molmasse: 191.05

Namen und Synonyme

18791-75-84-Bromo-2-thiophenecarboxaldehyde4-Bromothiophene-2-carbaldehydeEINECS 242-577-3DTXSID60172116RefChem:520585DTXCID0094607242-577-34-Bromothiophene-2-carboxaldehyde4-Bromo-2-formylthiophene2-Thiophenecarboxaldehyde, 4-bromo-MFCD00005431

Weitere Namen anzeigen

TIMTEC-BB SBB0002934-Bromo-2-thiopheneLABOTEST-BB LT001123583-Bromo-5-formylthiophene4-BROMOTHIOPHENE-2-ALDEHYDE4-Bromthiophen-2-carbaldehyd

4-BROMOTHIOPHEN-2-CARBOXALDEHYDE4-bromo-2-thiophenecarbaldehyde4-bromo-thiophene-2-carbaldehyde4-bromo-2-thiophene carboxaldehyde4-bromothiophen -2-carbaldehyde4-bromo-2-thiphenecarboxaldehydeF2189-00333-Bromo-5-thiophenecarboxaldehyde

Datenbank-Bezeichner

CAS: 18791-75-8
PubChem CID: 87792
DTXSID: DTXSID60172116
EC Number: 242-577-3
Nikkaji: J148.042A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 96,4

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46 °C (lit.)
Siedepunkt: 114 · 114-115 °C/11 mmHg (lit.)
Dichte: 1.77 · 1.770 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Powder or Granules
Farbe: White to beige
BRN: 108455 · 108455
InChI: InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey: PDONIKHDXYHTLS-UHFFFAOYSA-N
SMILES: C1(C=O)SC=C(Br)C=1
CAS Datenbank: 18791 · 18791-75-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: N
hs_code: 29349990
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 22-24/25-36/37/39-26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4-Bromothiophene-2-carboxaldehyde has been used: as building block for the synthesis of tetrahydroisoquinolinones in the synthesis of 3-[(4-bromo-2-thienyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole