Grundinformationen
- Standard-SMILES
Cc1nccn1Cc1ccccc1- InChIKey
FBHPRUXJQNWTEW-UHFFFAOYSA-N- Summenformel
- C11H12N2
- Durchschnittliche Molmasse
- 172,23 g/mol
- Monoisotopische Masse
- 172,10004839
Namen und Bezeichner
- Bevorzugter Name
- 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
- IUPAC
- 1-benzyl-2-methylimidazole
- Lokaler Name
- 1-Benzyl-2-methyl-1H-imidazol
- Englischer Name
- 1-Benzyl-2-methyl-1H-imidazole
- Summenformel
- C11H12N2
- Molmasse
- 172.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13750-62-4- PubChem CID
- 83699
- DTXSID
DTXSID4065604- ChEMBL
CHEMBL1269154- UNII
- 5V6JMQ38AM
- EC Number
- 237-333-8
- Nikkaji
- J102.387J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 152
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 57 °C · 57°C
- Siedepunkt
- 125 · 125-127 °C/3 mmHg (lit.)
- Dichte
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5645(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- pka
- 7.54 · 7.54±0.31(Predicted)
- Farbe
- Colorless to Yellow
- Wasserlöslichkeit
- insoluble
- InChI
- 1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChIKey
- FBHPRUXJQNWTEW-UHFFFAOYSA-N
- SMILES
- Cc1nccn1Cc2ccccc2
- CAS Datenbank
- 13750 · 13750-62-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)-(13750-62-4)
- EPA chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (13750-62-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (77.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 107 reports by companies from 11 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
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatorische Informationen
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29332900
- RTECS-Nr.
- NI7722500
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36-24/25
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1-Benzyl-2-methylimidazole may be employed as catalyst to investigate the effect of catalysts on the curing reaction of the biphenyl epoxy (4,4′-diglycidyloxy-3,3′,5,5′-tetramethyl biphenyl)dicyclopentadiene type phenolic resin system.
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