Methyl 4-(trifluoromethyl)nicotinate

Base Information

• Chemical Name: Methyl 4-(trifluoromethyl)nicotinate
• CAS No.: 175204-82-7
• Molecular Formula: C8H6F3NO2
• Molecular Weight: 205.13
• Hs Code.: 2933399090
• European Community (EC) Number: 807-916-7
• DSSTox Substance ID: DTXSID70379654
• Wikidata: Q72492037
• Mol file: 175204-82-7.mol

Synonyms:methyl 4-(trifluoromethyl)nicotinate;175204-82-7;methyl 4-(trifluoromethyl)pyridine-3-carboxylate;4-Trifluoromethyl-nicotinic acid methyl ester;3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl ester;tetra-n-butylthiuramdisulfide;SCHEMBL3093031;DTXSID70379654;methyl 4-trifluoromethylnicotinate;CHEBI:194892;BCP27423;MFCD00101568;AKOS005063523;PS-6540;SB34283;SDCCGMLS-0066199.P001;AC-22648;AM20050885;CS-0061858;FT-0628594;methyl 4-trifluormethylpyridine-3-carboxylate;4-(trifluoromethyl)nicotinic acid methyl ester;methyl 4-(triluoromethyl)pyridine-3-carboxylate;methyl 4-trifluoromethylpyridin-3-ylcarboxylate;J-522674

Chemical Property of Methyl 4-(trifluoromethyl)nicotinate

Chemical Property:

• Boiling Point: 240.4 °C at 760 mmHg
• PKA: 0.84±0.18(Predicted)
• Flash Point: 99.2 °C
• PSA: 39.19000
• Density: 1.331 g/cm³
• LogP: 1.88700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 205.03506292
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 4-(trifluoromethyl)pyridine-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CN=C1)C(F)(F)F
• Uses: Methyl 4-(trifluoromethyl)pyridine-3-carboxylate can be used to treat hyperproliferative disorders.