2-Methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
Basic information
- CAS
1211581-65-5- Standard SMILES
Cc1ncc(C(F)(F)F)cc1C(=O)O- InChIKey
OYAHYRKOZUHEGO-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO2
- Average molar mass
- 205.13 g/mol
- Monoisotopic mass
- 205.03506292
Names & identifiers
- Preferred name
- 2-Methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
- IUPAC
- 2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
- English name
- 2-methyl-5-(trifluoromethyl)nicotinic acid
- Molecular formula
- C8H6F3NO2
- Molecular weight
- 205.13
Names & synonyms
1211581-65-52-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acidRefChem:475701820-036-82-Methyl-5-(trifluoromethyl)nicotinic acidMFCD17392672SCHEMBL23119789OYAHYRKOZUHEGO-UHFFFAOYSA-NLYB58165AKOS027384915AT243122-Methyl-5-(trifluoromethyl)nicotinicacid
Show more names
3-Pyridinecarboxylic acid, 2-methyl-5-(trifluoromethyl)-
2-Methyl-5-trifluoromethyl-nicotinic AcidDB-240353EN300-71360Z1139192310
Database identifiers
- CAS
1211581-65-5- PubChem CID
- 91664652
- EC Number
- 820-036-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 275.4 · 275.4±40.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- 1.47 · 1.47±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933399990 · 2933399990
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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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