Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Base Information

• Chemical Name: Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
• CAS No.: 175137-27-6
• Molecular Formula: C₇H₄ClF₃N₂O₂
• Molecular Weight: 240.569
• Hs Code.: 2933599090
• European Community (EC) Number: 671-935-5
• DSSTox Substance ID: DTXSID50395175
• Nikkaji Number: J3.002.063D
• Wikidata: Q72489512
• Mol file: 175137-27-6.mol

Synonyms:methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate;175137-27-6;Methyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate;C7H4ClF3N2O2;MFCD00068146;methylchlorotrifluoromethylpyrimidinecarboxylate;SCHEMBL473934;DTXSID50395175;3-(1H-Pyrazol-3-yl)benzoicacid;BBL100608;STL554402;AKOS005063507;CD-0717;SB57847;FT-0628605;A811782;2-chloro-4-trifluoromethyl-5-carbomethoxypyrimidine;J-011069;J-521981;2-chloro-5-methoxycarbonyl-4-trifluoromethylpyrimidine;methyl 2-chloro-4-trifluoromethylpyrimidine-5-carboxylate;methyl 2-chloro-4-trifluoromethyl-pyrimidine-5-carboxylate;2-chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid methyl ester;4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-2-methyl-benzoate;Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, 97%;2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester;5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester

Chemical Property of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 5.54E-05mmHg at 25°C
• Melting Point: 253-254 °C
• Refractive Index: 1.502
• Boiling Point: 324.899 °C at 760 mmHg
• PKA: -5.70±0.29(Predicted)
• Flash Point: 150.294 °C
• PSA: 52.08000
• Density: 1.511 g/cm³
• LogP: 1.93540
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 239.9913396
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 26-36/37/39-23-51-24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl