2-chloro-1-(2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl)ethan-1-one
Basic information
- CAS
746630-82-0- Standard SMILES
Cc1cc(C(=O)CCl)c(C)n1CC(F)(F)F- InChIKey
NWRKQCMVUKGCER-UHFFFAOYSA-N- Molecular formula
- C10H11ClF3NO
- Average molar mass
- 253.65 g/mol
- Monoisotopic mass
- 253.0481262
Names & identifiers
- Preferred name
- 2-chloro-1-(2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl)ethan-1-one
- IUPAC
- 2-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethanone
Names & synonyms
746630-82-02-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]ethan-1-one2-chloro-1-(2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl)ethan-1-oneRefChem:468304107-391-82-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethanone2-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]ethanoneWEB63082AKOS008967142NCGC00660642-01EN300-09345G53761
Show more names
SR-01000052043SR-01000052043-1Z56978059
Database identifiers
- CAS
746630-82-0- PubChem CID
- 2103138
- EC Number
- 107-391-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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