1H-Benzimidazole, 1-methyl-

HCID 95890CAS 1632-83-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cn1cnc2ccccc21
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
Summenformel: C8H8N2
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,06874826

Namen und Bezeichner

Bevorzugter Name: 1H-Benzimidazole, 1-methyl-
IUPAC: 1-methylbenzimidazole
Englischer Name: 1-Methylbenzimidazole
Summenformel: C8H8N2
Molmasse: 132.16

Namen und Synonyme

1-methylbenzimidazole1632-83-31H-Benzimidazole, 1-methyl-1-Methyl-1H-benzimidazole12LW89N19YNSC-42115nsc 42115DTXSID90167530RefChem:438075DTXCID2090021605-321-5InChI=1/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H

Weitere Namen anzeigen

N-Methylbenzimidazole1-Methylbenzimidazole>1-MethylbenziMidazole 99%1-Methyl-1H-benzimidazole 98%

MFCD001922751-methyl-1H-1,3-benzodiazole1-methyl benzimidazoleUNII-12LW89N19Y1-methyl-1H-benzo[d]imidazoleNSC421151 -methylbenzimidazole1-methyl-benzimidazole

Datenbank-Bezeichner

CAS: 1632-83-3
PubChem CID: 95890
DTXSID: DTXSID90167530
ChEMBL: CHEMBL345855
UNII: 12LW89N19Y
EC Number: 605-321-5
Nikkaji: J324.896H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 124

Experimentelle und physikochemische Eigenschaften

LogP1.34

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-62 °C(lit.)
Siedepunkt: 154 °C12 · 154 °C12 mm Hg(lit.)
Dichte: 1.1254 · 1.1254
Brechungsindex: 1.6013 · 1.6013
Flammpunkt: 154 °C/12mm · 154°C/12mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
Aggregatzustand: Solid
pka: 5.4 · 5.40±0.10(Predicted)
Farbe: White to pink
InChI: InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey: FGYADSCZTQOAFK-UHFFFAOYSA-N
SMILES: C1N(C)C2=CC=CC=C2N=1
CAS Datenbank: 1632 · 1632-83-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29339980
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-Methylbenzimidazole is the suitable reagent used as electrolyte additive for the dye-sensitized solar cells and solid-state dye-sensitized solar cells.