Basic information
- CAS
433328-82-6- Standard SMILES
CCn1c(COc2ccc(C)cc2)nc2ccccc21- InChIKey
FBXDQANPSGHGFG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Overview
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole is a member of benzimidazoles.
Names & identifiers
- Preferred name
- 1-ethyl-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole
- IUPAC
- 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
- English name
- 1-ethyl-2-((p-tolyloxy)methyl)-1H-benzo[d]imidazole
- Molecular formula
- C17H18N2O
- Molecular weight
- 266.34
Names & synonyms
1-ethyl-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole1-ethyl-2-((4-methylphenoxy)methyl)-1H-1,3-benzodiazoleRefChem:432370996-230-2433328-82-61-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole1-ethyl-2-(4-methylphenoxymethyl)-1H-1,3-benzodiazole1-ethyl-2-((p-tolyloxy)methyl)-1H-benzo[d]imidazole1-ethyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazoleMLS000708381CHEMBL1461800(1-ethyl-1H-benzimidazol-2-yl)methyl 4-methylphenyl ether
Show more names
1H-Benzimidazole, 1-ethyl-2-[(4-methylphenoxy)methyl]-
CHEBI:116375DTXSID501322345HMS2732F17ISA32882STK843976AKOS000562954SMR000287848ST50027890
Database identifiers
- CAS
433328-82-6- PubChem CID
- 800809
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility2.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 115 °C · 115 °C(Solv: methanol (67-56-1))
- Boiling point
- 454.1 · 454.1±28.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 5.15 · 5.15±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Additional notes
DefinitionChEBI: 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole is a member of benzimidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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