4,5-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Basic information
- CAS
1217032-15-9- Standard SMILES
Cc1ccc2[nH]c(=O)[nH]c2c1C- InChIKey
MNAAVHWPNAIDDG-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 4,5-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
- IUPAC
- 4,5-dimethyl-1,3-dihydrobenzimidazol-2-one
- English name
- 4,5-Dimethylbenzimidazolone
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
1217032-15-94,5-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneRefChem:507823986-632-64,5-Methyl-1,3-dihydro-2H-benzimidazol-2-one4,5-Dimethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one4,5-dimethyl-1,3-dihydrobenzimidazol-2-one4,5-dimethyl-3-hydrobenzimidazol-2-oneSCHEMBL3227967SCHEMBL22349154SBB056007AKOS006286968
Show more names
4,5-Dimethylbenzimidazolone4,5-Dimethyl-1,3-dihydro-benzoimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-4,5-dimethyl-
TS-01457ST50950053G37967
Database identifiers
- CAS
1217032-15-9- PubChem CID
- 21361023
- EC Number
- 986-632-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 169.8 · 169.8±30.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 12.27 · 12.27±0.30(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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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