4,5,6,7-Tetrahydroindole
Grundinformationen
- CAS
13618-91-2- Standard-SMILES
c1cc2c([nH]1)CCCC2- InChIKey
KQBVVLOYXDVATK-UHFFFAOYSA-N- Summenformel
- C8H11N
- Durchschnittliche Molmasse
- 121,18 g/mol
- Monoisotopische Masse
- 121,08914936
Namen und Bezeichner
- Bevorzugter Name
- 4,5,6,7-Tetrahydroindole
- IUPAC
- 4,5,6,7-tetrahydro-1H-indole
- Englischer Name
- 4,5,6,7-TETRAHYDROINDOLE
- Summenformel
- C8H11N
- Molmasse
- 121.18
Namen und Synonyme
4,5,6,7-TetrahydroindoleRefChem:507580624-521-34,5,6,7-Tetrahydro-1H-indole13618-91-21H-Indole, 4,5,6,7-tetrahydro-MFCD00012134NSC122455NSC-122455AS-50369P10023Q27461810
Weitere Namen anzeigen
Cyclohex[b]pyrrole4,5,6,7-Tetrahydroindole 98%4,5,6,7-TETRAHYDROINDOLE 98+%
2,3-TetramethylenepyrroleNSC 122455Benzaldehyde,4-amino-3-methoxy-(9Cl)FT-0600350SCHEMBL13511SCHEMBL19911SCHEMBL493822SCHEMBL493823
Datenbank-Bezeichner
- CAS
13618-91-2- PubChem CID
- 97429
- DTXSID
DTXSID80159727- EC Number
- 624-521-3、919-829-2
- Nikkaji
- J407.033J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 101
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-57 °C(lit.)
- Siedepunkt
- 64 °C · 64 °C(Press: 0.1 Torr)
- Dichte
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 18.03 · 18.03±0.20(Predicted)
- BRN
- 108853 · 108853
- InChI
- InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
- InChIKey
- KQBVVLOYXDVATK-UHFFFAOYSA-N
- SMILES
- N1C2=C(CCCC2)C=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- F
- 1-10
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4,5,6,7-Tetrahydroindole was used as reactant in:synthesis of ethyl 3-(4,5,6,7-tetrahydroindol-2-yl)-2-propynoatepreparation of BODIPY dyesN-alkylation with chloromethyloxiranepreparation of hydroindolepropynoate by chemo- and regioselective solvent-free ethynylationpalladium- and copper-free cross-coupling of halopropynoatespreparation of carbonylalkenyl indoles via coupling with dicarbonyl compounds1:2 annelation of 4,5,6,7-tetrahydroindole with 1-benzoyl-2-phenylacetylene
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南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
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