Ethyl 6-chloro-5-(trifluoromethyl)picolinate
Basic information
- CAS
850864-57-2- Standard SMILES
CCOC(=O)c1ccc(C(F)(F)F)c(Cl)n1- InChIKey
MZFYHQVXTYZCSY-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 253.0117406
Names & identifiers
- Preferred name
- Ethyl 6-chloro-5-(trifluoromethyl)picolinate
- IUPAC
- ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
- English name
- Ethyl 6-chloro-5-(trifluoroMethyl)picolinate
- Molecular formula
- C9H7ClF3NO2
- Molecular weight
- 253.61
Names & synonyms
Ethyl 6-chloro-5-(trifluoromethyl)picolinate850864-57-2Ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylateMFCD23106414Ethyl 6-chloro-5-(trifluoromethyl)-2-pyridinecarboxylateSCHEMBL5432959Ethyl6-chloro-5-(trifluoromethyl)picolinateDTXSID507437DTXSID50743793AKOS016002757PB19838AS-51884
Show more names
2-Pyridinecarboxylic acid, 6-chloro-5-(trifluoromethyl)-, ethyl ester
SY234015DB-198301CS-0049416P13822F2209646-chloro-5-trifluoromethyl-pyridinecarboxylic acid ethyl ester6-chloro-5-trifluoromethyl-pyridine-2-carboxylic acid ethyl ester
Database identifiers
- CAS
850864-57-2- PubChem CID
- 70701014
- DTXSID
DTXSID50743793
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 313.6 · 313.6±42.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.32 · -3.32±0.10(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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