1-(5,6,7,8-Tetrahydroquinolin-8-yl)ethan-1-one
Grundinformationen
- CAS
1146576-61-5- Standard-SMILES
CC(=O)C1CCCc2cccnc21- InChIKey
YCPXJTSSSPGZOE-UHFFFAOYSA-N- Summenformel
- C11H13NO
- Durchschnittliche Molmasse
- 175,23 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 1-(5,6,7,8-Tetrahydroquinolin-8-yl)ethan-1-one
- IUPAC
- 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
- Englischer Name
- 8-Acetyl-5,6,7,8-tetrahydroquinoline
- Summenformel
- C11H13NO
- Molmasse
- 175.23
Namen und Synonyme
1146576-61-51-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-oneRefChem:426073802-467-38-Acetyl-5,6,7,8-tetrahydroquinoline1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanoneSCHEMBL2688968SCHEMBL29640806YCPXJTSSSPGZOE-UHFFFAOYSA-N8-Acetyl-5678-tetrahydroquinolineMFCD19689778AKOS017523539
Weitere Namen anzeigen
8-Acetyl-5,6,7,8-tetrahydroquinoline 95%Ethanone, 1-(5,6,7,8-tetrahydro-8-quinolinyl)-
SY362811CS-0102376F53821EN300-1709940F605996
Datenbank-Bezeichner
- CAS
1146576-61-5- PubChem CID
- 42604452
- EC Number
- 802-467-3
- Nikkaji
- J2.706.252K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 30 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 202
Physikochemische Eigenschaften
- Siedepunkt
- 312.4 · 312.4±30.0 °C(Predicted)
- Dichte
- 1.107 g/mL · 1.107 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.568
- Flammpunkt
- 110 ℃ · >110℃
- pka
- 5.44 · 5.44±0.40(Predicted)
- Aggregatzustand
- liquid
- InChI
- 1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
- InChIKey
- YCPXJTSSSPGZOE-UHFFFAOYSA-N
- SMILES
- n1c2c(ccc1)CCCC2C(=O)C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- risk_code
- 25-36/37/38
- hazard_code
- T
- safety_code
- 26
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenVersatile ligand for CuI mediated room temperature C-N coupling reactions
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter11 Anbieter
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海立崎生物医学研究中心18014399201 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Zugehörige Reaktionen
68
HRID 1344689als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344690als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344691als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344692als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344693als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344694als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1344695als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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