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HCID 675Erstellt: 26. Oktober 2026

5,6-Dimethylbenzimidazol

dimethylbenzimidazole · 5,6-DiMethyl-1H-benzo[d]iMidazole · dimedazol · 5,6-DIMETHYL-1H-BENZIMIDAZOLE · C03114 · 5,6-DBI · dimesol · dimezol

https://huagongshe.com/de/chemical/675

Molekülstruktur von 5,6-Dimethylbenzimidazol

Identifikatoren & physikalische Daten

CAS No.582-60-5
SummenformelC9H10N2
Durchschnittliche Molmasse146,19 g/mol
Monoisotopische Masse146,08439833 g/mol
SMILESCc1cc2nc[nH]c2cc1C
InChIKeyLJUQGASMPRMWIW-UHFFFAOYSA-N
PubChem CID675
ChEMBLCHEMBL351132
ChEBICHEBI:15890
EC No.209-488-1
DTXSIDDTXSID70870631
Lokaler Name5,6-Dimethylbenzimidazol

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)28,7
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität146
LogP (Verteilungskoeffizient)2.351.854
Schmelzpunkt205.5205.5 °C202-205 °C (lit.)
Physical DescriptionSolid
Collision Cross Section129.9 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]130.3 Ų [M+H]+ [CCS Type: DT127.73 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]129.9 Ų [M+H]+ [CCS Type: DT130 Ų [M-H]-130.4 Ų [M+H]+
Siedepunkt255.81°C (rough estimate)
Dichte1.0976 (rough estimate)
Brechungsindex1.5600 (estimate)
LagerbedingungenStore below +30°C.
LöslichkeitSoluble in ethanol (50 mg/ml).
AggregatzustandPowder
pKa (Säurekonstante)13.48±0.30(Predicted)
FarbeLight beige
Merck14,3236
BRN116595
InChI1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKeyLJUQGASMPRMWIW-UHFFFAOYSA-N
SMILESCc1cc2nc[nH]c2cc1C
CAS Datenbank582-60-5(CAS DataBase Reference)
EPA chemische Informationen1H-Benzimidazole, 5,6-dimethyl- (582-60-5)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (33.3%): Harmful 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, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 6 reports by companies.There are 2 notifications provided by 3 of 6 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.
Regulatorische InformationenStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21166
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (16.7%)Aquatic Chronic 3 (33.3%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29339990
RTECS-Nr.DD8280000
Sicherheitshinweise (S)24/25
Lagerklasse11 - Combustible Solids