Chemical Properties of 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile (CAS 120068-37-3)

5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

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InChI
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
InChI Key
ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Formula
C12H4Cl2F6N4OS
SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F
Molecular Weight1
437.15
CAS
120068-37-3
Other Names
  • 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-
  • 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinylpyrazole
  • Fipronil
  • 1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylsulfinyl)pyrazole (fipronil)
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Physical Properties

Property Value Unit Source
log10WS -6.00 Crippen Calculated Property
logPoct/wat 4.279 Crippen Calculated Property
McVol 225.360 ml/mol McGowan Calculated Property
Inp [2049.00; 2069.00]   Show Hide
Inp 2069.00 NIST
Inp 2052.00 NIST
Inp 2059.00 NIST
Inp 2052.00 NIST
Inp 2049.00 NIST
Inp 2069.00 NIST
Inp 2052.00 NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 85.00 kJ/mol 398.00 NIST

Similar Compounds

5-Acetamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. Caulophylline. Cytisine, N-formyl-. Anagyrine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. N-acetylcytisine. Camoensidine. Cytisine. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. N-Desmethylmirtazapine. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Sophoramine. Argentamin.

Find more compounds similar to 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile.

Sources

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