3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile
Basic information
- CAS
327084-91-3- Standard SMILES
Cc1cc(C(=O)CC#N)c(C)n1-c1ccccc1F- InChIKey
GNNICPYNVXYZPH-UHFFFAOYSA-N- Molecular formula
- C15H13FN2O
- Average molar mass
- 256.27 g/mol
- Monoisotopic mass
- 256.1011912
Names & identifiers
- Preferred name
- 3-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile
- IUPAC
- 3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
- English name
- 3-[1-(2-FLUORO-PHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-3-OXO-PROPIONITRILE
- Molecular formula
- C15H13FN2O
- Molecular weight
- 256.27
Names & synonyms
327084-91-33-[1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile3-(1-(2-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-3-oxopropanenitrile3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrileEnamine_001328Oprea1_308132HMS1397M08MFCD02707489AKOS027427090SB63689SY134767
Show more names
1-(2-Fluorophenyl)-2,5-dimethyl-β-oxo-1H-pyrrole-3-propanenitrile1-(2-Fluorophenyl)-2,5-dimethyl-beta-oxo-1H-pyrrol-3-propanenitrile1H-Pyrrole-3-propanenitrile, 1-(2-fluorophenyl)-2,5-dimethyl-β-oxo-
CS-0220024EN300-05580G25802F642850SR-01000029121SR-01000029121-1Z567906063-[1-(2-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-3-oxopropanenitrile
Database identifiers
- CAS
327084-91-3- PubChem CID
- 2321970
- EC Number
- 118-317-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Suppliers
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Related reactions
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Compound notes
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