2-(5-methoxy-1H-indol-3-yl)acetonitrile
Grundinformationen
- CAS
2436-17-1- Standard-SMILES
COc1ccc2[nH]cc(CC#N)c2c1- InChIKey
ZBQCXEREMRGOCO-UHFFFAOYSA-N- Summenformel
- C11H10N2O
- Durchschnittliche Molmasse
- 186,21 g/mol
- Monoisotopische Masse
- 186,07931294
Namen und Bezeichner
- Bevorzugter Name
- 2-(5-methoxy-1H-indol-3-yl)acetonitrile
- IUPAC
- 2-(5-methoxy-1H-indol-3-yl)acetonitrile
- Englischer Name
- 5-Methoxyindole-3-acetonitrile
- Summenformel
- C11H10N2O
- Molmasse
- 186.21
Namen und Synonyme
2-(5-methoxy-1H-indol-3-yl)acetonitrileRefChem:458888800-083-05-Methoxyindole-3-acetonitrile2436-17-15-Methoxy-3-indolylacetonitrile(5-methoxy-1H-indol-3-yl)acetonitrileMFCD020941632-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile2-(5-methoxyindol-3-yl)ethanenitrileSCHEMBL2724551CHEMBL2377609
Weitere Namen anzeigen
5-Methoxyindol-3-acetonitril3-(Cyanomethyl)-5-methoxyindole5-METHOXY-3-INDOLYLACETONITRILE 97%3-(Cyanomethyl)-5-methoxy-1H-indole5-Methoxy indol - 3 -yl Acetonitrile1H-Indole-3-acetonitrile, 5-methoxy-
DTXSID00393707ZBQCXEREMRGOCO-UHFFFAOYSA-N(5-methoxy-3-indolyl)-acetonitrileSBB069457STL220633AKOS0052587795-Methoxy-3-indolylacetonitrile, 95%FM38506
Datenbank-Bezeichner
- CAS
2436-17-1- PubChem CID
- 3564783
- DTXSID
DTXSID00393707
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 48,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 245
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 · 65-69 °C (lit.)
- Siedepunkt
- 175 · 175-177 °C(Press: 0.01 Torr)
- Dichte
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 16.02 · 16.02±0.30(Predicted)
- Farbe
- Very Dark Brown
- InChI
- InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
- InChIKey
- ZBQCXEREMRGOCO-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C=C2)C(CC#N)=C1
- CAS Datenbank
- 2436 · 2436-17-1(CAS DataBase Reference)
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
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 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. 4 (33.3%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Methoxyindole-3-acetonitrile is a versatile reactant used in the preparation of indole-N-acetic acid derivatives as aldose reductase inhibitors for diabetic complications treatment. It is also used in the synthesis of carboline analogs as potent MAPKAP-K2 inhibitors.
Anbieter63 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Zugehörige Reaktionen
17
Notizen zur Verbindung
Wird geladen…