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

Base Information

• Chemical Name: Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
• CAS No.: 306935-98-8
• Molecular Formula: C13H8 Cl F3 O4 S2
• Molecular Weight: 384.78
• Hs Code.: 2934999090
• European Community (EC) Number: 640-701-4
• DSSTox Substance ID: DTXSID00381088
• Wikidata: Q82171707
• Mol file: 306935-98-8.mol

Synonyms:306935-98-8;methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;Methyl 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;3-Chlorosulfonyl-4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid methyl ester;METHYL3-(CHLOROSULFONYL)-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE;Methyl 3-(chlorosulphonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate;SCHEMBL3000388;DTXSID00381088;QTEYQFWTRAYGTC-UHFFFAOYSA-N;MFCD02090166;AKOS016016455;MS-22118;CS-0365760;FT-0628489;A820535;methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 1.13E-13mmHg at 25°C
• Melting Point: 74 °C
• Refractive Index: 1.608
• Boiling Point: 473.8°Cat760mmHg
• Flash Point: 240.3°C
• PSA: 97.06000
• Density: 1.525g/cm³
• LogP: 5.22880
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 383.9504633
• Heavy Atom Count: 23
• Complexity: 540

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• 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)S(=O)(=O)Cl