Methyl 2,6-dichloro-5-(trifluoromethyl)nicotinate
Basic information
- CAS
2817668-87-2- Standard SMILES
COC(=O)c1cc(C(F)(F)F)c(Cl)nc1Cl- InChIKey
QXUYCQVYVPFEJE-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2F3NO2
- Average molar mass
- 274.02 g/mol
- Monoisotopic mass
- 272.9571182
Names & identifiers
- Preferred name
- Methyl 2,6-dichloro-5-(trifluoromethyl)nicotinate
- IUPAC
- methyl 2,6-dichloro-5-(trifluoromethyl)pyridine-3-carboxylate
Names & synonyms
2817668-87-2methyl 2,6-dichloro-5-(trifluoromethyl)pyridine-3-carboxylateMethyl 2,6-dichloro-5-(trifluoromethyl)nicotinateSCHEMBL26915090SCHEMBL30729633
Database identifiers
- CAS
2817668-87-2- PubChem CID
- 164854841
- EC Number
- 180-395-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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