Grundinformationen
- Standard-SMILES
CC1Cc2ccccc2N1- InChIKey
QRWRJDVVXAXGBT-UHFFFAOYSA-N- Summenformel
- C9H11N
- Durchschnittliche Molmasse
- 133,19 g/mol
- Monoisotopische Masse
- 133,08914936
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylindoline
- IUPAC
- 2-methyl-2,3-dihydro-1H-indole
- Lokaler Name
- 2-Methylindolin
- Englischer Name
- 2-Methylindoline
- Summenformel
- C9H11N
- Molmasse
- 133.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6872-06-6- PubChem CID
- 23305
- DTXSID
DTXSID70884339- ChEBI
CHEBI:166548- UNII
- 5GAL2SM4VV
- EC Number
- 229-971-0
- Nikkaji
- J8.853F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 122
Physikochemische Eigenschaften
- Schmelzpunkt
- -51 °C · -51 °C
- Siedepunkt
- 228 · 228-229 °C (lit.)
- Dichte
- 1.023 g/mL · 1.023 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.569(lit.)
- Flammpunkt
- 200 °F · 200 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Liquid
- pka
- 5.26 · 5.26±0.40(Predicted)
- Wichte
- 1.02 · 1.02
- Farbe
- Clear yellow to brown
- Wasserlöslichkeit
- negligible
- InChI
- 1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3
- InChIKey
- QRWRJDVVXAXGBT-UHFFFAOYSA-N
- SMILES
- CC1Cc2ccccc2N1
- CAS Datenbank
- 6872 · 6872-06-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Methylindoline(6872-06-6)
- EPA chemische Informationen
- 1 H-Indole, · 1H-Indole, 2,3-dihydro-2-methyl- (6872-06-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 21.1% (16 of 76) of reports.
Warning
H302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (57.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (59.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (56.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (11.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 16 of 76 reports by companies.;There are 12 notifications provided by 60 of 76 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: 1H-Indole, 2,3-dihydro-2-methyl-
Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863
Regulatorische Informationen
Regulatory Information
Chemical: 1H-Indole, 2,3-dihydro-2-methyl-
Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21863
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- NM1926350
- risk_code
- 36/37/38-52/53-22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-60-57
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Methylindoline is an intermediate in the production of various indole derivatives
Darstellung
synthetische2-Methylindoline is prepared through the transformation of 1-(2-aminophenyl)propan-2-ol using acidic catalysts[1]. 2-Methylindoline is also produced by the hydrogenation of 2-methylindole in toluene[2].
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