1H-Imidazol-2-yl(4-methylphenyl)methanone
Basic information
- CAS
116997-22-9- Standard SMILES
Cc1ccc(C(=O)c2ncc[nH]2)cc1- InChIKey
MWFUQWJSIBEMPW-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 1H-Imidazol-2-yl(4-methylphenyl)methanone
- IUPAC
- 1H-imidazol-2-yl-(4-methylphenyl)methanone
- English name
- CHEMBRDG-BB 9070937
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
1H-IMIDAZOL-2-YL(4-METHYLPHENYL)METHANONERefChem:438235802-138-4116997-22-9(1H-Imidazol-2-yl)(p-tolyl)methanone1H-imidazol-2-yl-(4-methylphenyl)methanoneMFCD00956848HMS2211G16Methanone, 1H-imidazol-2-yl(4-methylphenyl)-MLS001241047SCHEMBL5042662SCHEMBL6420193
Show more names
CHEMBRDG-BB 90709371H-imidazol-2-yl(4-methylphenyl)methanone(SALTDATA: FREE)
CHEMBL1354790DTXSID80394777HMS3338L041H-imidazol-2-yl(p-tolyl)methanoneAKOS006220449BS-35622SMR000841147DB-345729
Database identifiers
- CAS
116997-22-9- PubChem CID
- 3661024
- DTXSID
DTXSID80394777- ChEMBL
CHEMBL1354790- EC Number
- 802-138-4
- Nikkaji
- J2.794.700J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 398.1 · 398.1±35.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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