Grundinformationen
- CAS
614-97-1- Standard-SMILES
Cc1ccc2nc[nH]c2c1- InChIKey
RWXZXCZBMQPOBF-UHFFFAOYSA-N- Summenformel
- C8H8N2
- Durchschnittliche Molmasse
- 132,166 g/mol
- Monoisotopische Masse
- 132,06874826
Namen und Bezeichner
- Bevorzugter Name
- 5-Methylbenzimidazole
- IUPAC
- 5-Methyl-1H-benzimidazole
- Lokaler Name
- 5-Methylbenzimidazol
- Englischer Name
- 5-Methylbenzimidazole
- Summenformel
- C8H8N2
- Molmasse
- 132.16
Namen und Synonyme
5-Methyl-1H-benzo[d]iMidazole6-methyl-1H-benzo[d]imidazole5-methyl-benzimidazol5-METHYLBENZIMIDAZOLE5-METHYLBENZOIMIDAZOLE5-methyl-1h-benzimidazol5-Methylbenzimidazole>5-METHYL-1H-BENZIMIDAZOLE5-Methylbenzimidazole,98%6-Methyl-1H-benzimidazole
Datenbank-Bezeichner
- CAS
614-97-1- PubChem CID
- 11979
- DTXSID
DTXSID1060639- ChEMBL
CHEMBL157729- ChEBI
CHEBI:40205- UNII
- R56855UC8Y
- EC Number
- 210-401-4
- Nikkaji
- J41.308I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 124
Experimentelle und physikochemische Eigenschaften
Boiling Point169-172 °C at 1.00E+00 mm Hg
Melting Point114-117 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-117 °C (lit.)
- Siedepunkt
- 169 · 169-172 °C/1 mmHg (lit.)
- Dichte
- 1.1083 · 1.1083 (rough estimate)
- Brechungsindex
- 1.6013 · 1.6013 (estimate)
- Flammpunkt
- 169 · 169-172°C/1mm
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in chloroform (25mg/ml).
- Aggregatzustand
- powder to crystaline
- pka
- 13.15 · 13.15±0.30(Predicted)
- Farbe
- Light yellow to Brown to Dark green
- BRN
- 2628 · 2628
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
This chemical does not meet GHS hazard criteria for 82.2% (37 of 45) of all reports.
Warning
H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 37 of 45 reports by companies.；There are 3 notifications provided by 8 of 45 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
Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)；Eye Irrit. 2A (11.1%)；STOT SE 3 (11.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29332900
- RTECS-Nr.
- DD9275000
- risk_code
- 22-20/21/22-36/37/38
- hazard_code
- Xn
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-Benzimidazole, 6-methyl-: ACTIVE
Anwendungen
Verwenden5-Methylbenzimidazole is used as a camphor substitute. It is also used as fine chemical and medicine intermediate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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