5-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole - CAS 667873-25-8
Catalog: |
BB072818 |
Product Name: |
5-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole |
CAS: |
667873-25-8 |
Synonyms: |
5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole; 5-Methyl-3-trifluoromethyl-1H-[1,2,4]triazole; 3-Methyl-5-(trifluoromethyl)-1H-1,2,4-triazole; 3-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazole |
IUPAC Name: | 5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole |
Molecular Weight: | 151.08 |
Molecular Formula: | C4H4N3F3 |
Canonical SMILES: | CC1=NC(=NN1)C(F)(F)F |
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 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.03573163 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.03573163 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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