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667873-25-8,MFCD03463854
Catalog No.:AA00FFWB
667873-25-8 | 5-METHYL-3-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOLE
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250mg
95%
in stock  
$70.00
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1g
95%
in stock  
$127.00
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5g
95%
in stock  
$367.00
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10g
95%
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$556.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00FFWB
Chemical Name:
5-METHYL-3-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOLE
CAS Number:
667873-25-8
Molecular Formula:
C4H4F3N3
Molecular Weight:
151.0899
MDL Number:
MFCD03463854
IUPAC Name:
5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
InChI:
InChI=1S/C4H4F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3,(H,8,9,10)
InChI Key:
ZWXAVIBKKKTERN-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.036g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.092g/mol
Monoisotopic Mass:
151.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole 
667873-25-8 
ZWXAVIBKKKTERN-UHFFFAOYSA-N 
ALBB-032419 
KS-00001W6Y 
ZINC3883866 
7785AE 
KM1035 
MFCD03463854 
SBB086752 
STK968087 
AKOS005070381 
5-Methyl-3-trifluoromethyl-1H-[1,2,4]triazole 
AKOS009158206 
MCULE-9809187115 
RP09999 
AM807117 
TR-063310 
3-methyl-5-(trifluoromethyl)-2H-1,2,4-triazole 
3-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole 
3-Methyl-5-trifluoromethyl-4H-[1,2,4]triazole 
3Y-0800 
J-517774 
methyltrifluoromethyltriazole 
5-Methyl-3-(trifluoromethyl)-1H-[1,2,4]TRIAZOLE 
Z2238508632 
C4H4F3N3 
ZINC03883866 
CID2783212 
N/A 
AC1MD40K 
SCHEMBL791716 
1H-1,2,4-Triazole,3-methyl-5-(trifluoromethyl)- 
SCHEMBL10208108 
CTK6B2708 
DTXSID60382511 
Literature
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