[2,2'-Bithiophene]-5-carboxaldehyde

HCID 364428CAS 3779-27-9

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Grundinformationen

Standard-SMILES: O=Cc1ccc(-c2cccs2)s1
InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N
Summenformel: C9H6OS2
Durchschnittliche Molmasse: 194,3 g/mol
Monoisotopische Masse: 193,98600716

Namen und Bezeichner

Bevorzugter Name: [2,2'-Bithiophene]-5-carboxaldehyde
IUPAC: 5-thiophen-2-ylthiophene-2-carbaldehyde
Englischer Name: 2,2'-BITHIOPHENE-5-CARBOXALDEHYDE
Summenformel: C9H6OS2
Molmasse: 194.27

Namen und Synonyme

3779-27-9[2,2'-Bithiophene]-5-carboxaldehyde(2,2'-Bithiophene)-5-carboxaldehydeDTXSID70191237RefChem:68497DTXCID801137282,2'-Bithiophene-5-carboxaldehyde2,2'-bithiophene-5-carbaldehyde[2,2'-Bithiophene]-5-carbaldehyde2,2-Bithiophene-5-carboxaldehyde2,2'-Bithienyl-5-carboxaldehyde5-thiophen-2-ylthiophene-2-carbaldehyde

Weitere Namen anzeigen

S1180AKOS BAR-0540BUTTPARK 29\08-48TIMTEC-BB SBB003601SALOR-INT L158844-1EA2,2'-Bithiophene-5-carboxaldehy2,2-dithiophene-5-methylaldehyde

5-Formyl-2,2'-bithiopheneMFCD00052294C9H6OS25-(2-thienyl)thiophene-2-carbaldehyde5-(thiophen-2-yl)thiophene-2-carbaldehydeNSC630688MLS002702914CHEMBL314090

Datenbank-Bezeichner

CAS: 3779-27-9
PubChem CID: 364428
DTXSID: DTXSID70191237
ChEMBL: CHEMBL314090
EC Number: 813-826-9
Nikkaji: J622.648E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 73,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-58 °C(lit.)
Siedepunkt: 210 °C · 210 °C / 18mmHg
Dichte: 1.424 g/cm3 · 1.424 g/cm3
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Amber to Dark green
InChI: InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N
SMILES: C1(C2SC=CC=2)SC(C=O)=CC=1
CAS Datenbank: 3779 · 3779-27-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,2′-Bithiophene-5-carboxaldehyde may be used in the synthesis of the following:boron dipyrromethene(BODIPY)oligothiophenes via a multi-step reaction process(2,2′-bithiophene-5-carbaldehyde)-4-nitrophenylhydrazone(BT-NPH) via reaction with 4-nitrophenylhydrazinebithiophene fulleropyrrolidine obtained via refluxing with sarcosine and fullereneazomethine phthalic diimides by heating with N,N-bis(4-amino-2,3,5,6-tetramethylphenyl)naphthalene-1,4,5,8-dicarboximide (DANDI)