5,6-Dimethyl-2-ethylbenzimidazole
Basic information
- CAS
4887-89-2- Standard SMILES
CCc1nc2cc(C)c(C)cc2[nH]1- InChIKey
LAQXERCZJGYYGM-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2-ethylbenzimidazole
- IUPAC
- 2-ethyl-5,6-dimethyl-1H-benzimidazole
- English name
- 2-ethyl-5,6-dimethyl-1H-benzoimidazole
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
5,6-DIMETHYL-2-ETHYLBENZIMIDAZOLERefChem:528105654-675-74887-89-22-ethyl-5,6-dimethyl-1h-benzimidazole2-Ethyl-5,6-dimethyl-1H-benzoimidazoleCHEMBL1564392-Ethyl-5,6-dimethyl-1H-benzo[d]imidazole2-ethyl-5,6-dimethylbenzimidazoleNSC47127SCHEMBL8845396DTXSID70286738
Show more names
1H-Benzimidazole, 2-ethyl-5,6-dimethyl-2-ethyl-5,6-dimethyl-1H-1,3-benzodiazole1H-Benzimidazole,2-ethyl-5,6-dimethyl-(9CI)
BDBM50404851MFCD00022685NSC-47127AKOS010203572SY521305DB-260992ST504431072-Ethyl-5,6-dimethyl-1H-1,3-benzimidazole
Database identifiers
- CAS
4887-89-2- PubChem CID
- 240689
- DTXSID
DTXSID70286738- ChEMBL
CHEMBL156439- EC Number
- 654-675-7
- Nikkaji
- J2.708.583K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 229 · 229-231 °C
- Boiling point
- 373.4 · 373.4±11.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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