2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline - CAS 438019-67-1
Catalog: |
BB049111 |
Product Name: |
2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline |
CAS: |
438019-67-1 |
Synonyms: |
2-[1,2,4]Triazol-1-yl-5-trifluoromethyl-phenylamine; Benzenamine, 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)-; 2-(1,2,4-triazolyl)-5-(trifluoromethyl)phenylamine |
IUPAC Name: | 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline |
Description: | 2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline (CAS# 438019-67-1 ) is a useful research chemical. |
Molecular Weight: | 228.17 |
Molecular Formula: | C9H7F3N4 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)N)N2C=NC=N2 |
InChI: | InChI=1S/C9H7F3N4/c10-9(11,12)6-1-2-8(7(13)3-6)16-5-14-4-15-16/h1-5H,13H2 |
InChI Key: | IELXEIUQSUFWOK-UHFFFAOYSA-N |
Boiling Point: | 350.3±52.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.06228073 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.06228073 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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