3-Bromothiophene-2-carboxaldehyde
Grundinformationen
- CAS
930-96-1- Standard-SMILES
O=Cc1sccc1Br- InChIKey
BCZHCWCOQDRYGS-UHFFFAOYSA-N- Summenformel
- C5H3BrOS
- Durchschnittliche Molmasse
- 191,05 g/mol
- Monoisotopische Masse
- 189,90879782
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromothiophene-2-carboxaldehyde
- IUPAC
- 3-bromothiophene-2-carbaldehyde
- Englischer Name
- 3-Bromothiophene-2-carbaldehyde
- Summenformel
- C5H3BrOS
- Molmasse
- 191.05
Namen und Synonyme
3-Bromothiophene-2-carboxaldehydeRefChem:499427672-838-0930-96-13-Bromothiophene-2-carbaldehyde3-Bromo-2-formylthiophene3-bromo-2-thiophenecarbaldehydeMFCD001266802-THIOPHENECARBOXALDEHYDE, 3-BROMO-3-bromo-thiophene-2-carbaldehyde3-bromo-2-thiophenecarboxaldehydeSCHEMBL964511
Weitere Namen anzeigen
THCHO-BrBUTTPARK 43\57-523-Bromothiophene-23-Bromo-2-Formylthophene3-bromothiophene-2-formaldehyde
DTXSID20383882AKOS005069326CS-W007753HY-W007753AC-25791EN300-9725610X-0872Z1157754111
Datenbank-Bezeichner
- CAS
930-96-1- PubChem CID
- 2797079
- DTXSID
DTXSID20383882- EC Number
- 672-838-0
- Nikkaji
- J148.034K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 45,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 96,4
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25 °C
- Siedepunkt
- 77 · 77-79°C 0,2mm
- Dichte
- 1.755 g/mL · 1.755 g/mL at 25 °C
- Brechungsindex
- 1.6377 · 1.6377
- Flammpunkt
- 110 · 110-113°C/10mm
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Amber to Dark green
- Wasserlöslichkeit
- Not miscible in water.
- BRN
- 109757 · 109757
- InChI
- InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
- InChIKey
- BCZHCWCOQDRYGS-UHFFFAOYSA-N
- SMILES
- C1(C=O)SC=CC=1Br
- CAS Datenbank
- 930 · 930-96-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/38-36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-22-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden3-Bromothiophene-2-carboxaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
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