Grundinformationen
- CAS
91-55-4- Standard-SMILES
Cc1[nH]c2ccccc2c1C- InChIKey
PYFVEIDRTLBMHG-UHFFFAOYSA-N- Summenformel
- C10H11N
- Durchschnittliche Molmasse
- 145,2 g/mol
- Monoisotopische Masse
- 145,08914936
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dimethylindole
- IUPAC
- 2,3-dimethyl-1H-indole
- Lokaler Name
- 2,3-Dimethyl-1H-indol
- Englischer Name
- 2,3-Dimethylindole
- Summenformel
- C10H11N
- Molmasse
- 145.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
91-55-4- PubChem CID
- 7053
- DTXSID
DTXSID6059027- ChEMBL
CHEMBL3252119- UNII
- TFW7O9HWZK
- EC Number
- 202-076-2
- Nikkaji
- J45.614D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1490.3;1476;1484;1499;1477.2
1507.4;257.32;255.48
2502;2539
Physikochemische Eigenschaften
- Schmelzpunkt
- 105 · 105-107 °C (lit.)
- Siedepunkt
- 285 °C · 285 °C (lit.)
- Dichte
- 1.0641 · 1.0641 (estimate)
- Brechungsindex
- 1.603 · 1.6030 (estimate)
- Flammpunkt
- 285 °C/750mm · 285°C/750mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 17.87 · 17.87±0.30(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Amber
- BRN
- 116662 · 116662
- InChI
- InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
- InChIKey
- PYFVEIDRTLBMHG-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(C)=C1C
- CAS Datenbank
- 91 · 91-55-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 H-Indole, · 1H-Indole, 2,3-dimethyl-(91-55-4)
- EPA chemische Informationen
- 1 H-Indole, · 1H-Indole, 2,3-dimethyl- (91-55-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 2 reports by companies from 2 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- RTECS-Nr.
- NL7185000
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,3-Dimethylindole has been used to study the mechanism of oxidation of 2,3-dimethylindole by peroxodisulphate and peroxomonosulphate anions to 2-methylindole-2-carbaldehyde. It has been used to study the behaviour of methylindoles in the agilent multimode ion source by atmospheric pressure chemical ionization mass spectrometry.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…