1,2,3,4-Tetrahydro-cyclopenta(b)indole
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Grundinformationen
- CAS
2047-91-8- Standard-SMILES
c1ccc2c3c([nH]c2c1)CCC3- InChIKey
HZDXFZHFEASSBM-UHFFFAOYSA-N- Summenformel
- C11H11N
- Durchschnittliche Molmasse
- 157,21 g/mol
- Monoisotopische Masse
- 157,08914936
Namen und Bezeichner
- Bevorzugter Name
- 1,2,3,4-Tetrahydro-cyclopenta(b)indole
- IUPAC
- 1,2,3,4-tetrahydrocyclopenta[b]indole
- Englischer Name
- 1 2 3 4-Tetrahydrocyclopent(b) indole
- Summenformel
- C11H11N
- Molmasse
- 157.21
Namen und Synonyme
1,2,3,4-Tetrahydro-cyclopenta[b]indole1,2,3,4-Tetrahydro-cyclopenta(b)indoleRefChem:4376891,2,3,4-tetrahydrocyclopenta[b]indole2047-91-8Cyclopent[b]indole, 1,2,3,4-tetrahydro-MFCD002253871,2,3,4-tetrahydrocyclopent[b]indoleBBL012565STK501675T31161,2,3,4-Tetrahydrocyclopent[b] indole, 96%
Weitere Namen anzeigen
TETRAHYDROCYCLOPENT(B)INDOLE1,2,3,4-Tetrahydro cyclopenta indole1,2,3,4-Tetrahydrocyclopent[b] indole 96%1,2,3,4-Tetrahydrocyclopent[b] indole1,2,3,4-Tetrahydrocyclopent[b] indole（NSC 112674）
EN300-1113501 2 3 4-TETRAHYDROCYCLOPENT(B) INDOLE2,3-Trimethyleneindole1H,2H,3H,4H-cyclopenta[b]indole1,?2,?3,?4-?Tetrahydrocyclopent[b]?indoleNSC112674NSC 112674SCHEMBL481360
Datenbank-Bezeichner
- CAS
2047-91-8- PubChem CID
- 270305
- DTXSID
DTXSID10296917- EC Number
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 100.5 · 100.5-105.5 °C(lit.)
- Siedepunkt
- 160 · 160-162 °C(Press: 1 Torr)
- Dichte
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Chloroform, Methanol
- Aggregatzustand
- powder to crystaline
- pka
- 17.83 · 17.83±0.20(Predicted)
- Farbe
- Light yellow to Brown
- InChI
- 1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2
- InChIKey
- HZDXFZHFEASSBM-UHFFFAOYSA-N
- SMILES
- C1Cc2[nH]c3ccccc3c2C1
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 (97.6%): 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 41 reports by companies from 4 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 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933.99.9701
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden• ;Reactant for thionium species-mediated functionalization at the 2α-position of indoles1• ;Reactant for preparation of tetramethylpiperidine-1-oxoammonium salts as oxidants2
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter60 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）
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