Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
• CAS No.: 256353-38-5
• Molecular Formula: C₁₃H₁₀F₃NO₂S
• Molecular Weight: 301.289
• Hs Code.: 2934999090
• European Community (EC) Number: 672-986-6
• DSSTox Substance ID: DTXSID20379523
• Wikidata: Q82169368
• Mol file: 256353-38-5.mol

Synonyms:256353-38-5;methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;Methyl 3-amino-4-phenyl-5-(trifluoromethyl)-thiophene-2-carboxylate;HMS563O03;Maybridge1_007879;SCHEMBL1894987;DTXSID20379523;FYUVISRLFPIWPP-UHFFFAOYSA-N;CCG-55051;MFCD00832742;MS-21992;CS-0333444;FT-0628536;A817933;J-016076;SR-01000644103-1;SR-01000644103-2;Methyl 3-amino-4-phenyl-5-(trifuoromethyl)thiophene-2-carboxylate;Methyl 3-amino-4-phenyl-5-(trifuoromethyl)thiophene-2carboxylate;methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, AldrichCPR

Chemical Property of Methyl 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.77E-06mmHg at 25°C
• Melting Point: 119 °C
• Boiling Point: 395.9°Cat760mmHg
• Flash Point: 193.3°C
• PSA: 80.56000
• Density: 1.382g/cm³
• LogP: 4.38390
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 301.03843422
• Heavy Atom Count: 20
• Complexity: 358

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)N