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Home >> Chemical Listing >> Page 181 >> 4-Cyano-5-(Methylsulfanyl)-3-[3-(Trifluoromethyl)Phenyl]-2-Thiophenecarboxylic Acid

4-Cyano-5-(Methylsulfanyl)-3-[3-(Trifluoromethyl)Phenyl]-2-Thiophenecarboxylic Acid
[CAS# 116492-99-0]

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Identification
Name 4-Cyano-5-(Methylsulfanyl)-3-[3-(Trifluoromethyl)Phenyl]-2-Thiophenecarboxylic Acid
Synonyms 4-CYANO-5-(METHYLTHIO)-3-[3-(TRIFLUOROMETHYL)PHENYL]THIOPHENE-2-CARBOXYLIC ACID; 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylicacid
Molecular Structure CAS#: 116492-99-0, 4-Cyano-5-(Methylsulfanyl)-3-[3-(Trifluoromethyl)Phenyl]-2-Thiophenecarboxylic Acid
Molecular Formula C14H8F3NO2S2
Molecular Weight 343.34
CAS Registry Number 116492-99-0
SMILES N#Cc1c(c(sc1SC)C(=O)O)c2cccc(c2)C(F)(F)F
InChI 1S/C14H8F3NO2S2/c1-21-13-9(6-18)10(11(22-13)12(19)20)7-3-2-4-8(5-7)14(15,16)17/h2-5H,1H3,(H,19,20)
InChIKey PDGBICZPQGIXQC-UHFFFAOYSA-N
Properties
Density 1.546g/cm3 (Cal.)
Boiling point 437.461°C at 760 mmHg (Cal.)
Flash point 218.369°C (Cal.)
Refractive index 1.621 (Cal.)
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