5-Bromo-1-methyl-3-(trifluoromethyl)pyrazole - CAS 524740-42-9
Catalog: |
BB071238 |
Product Name: |
5-Bromo-1-methyl-3-(trifluoromethyl)pyrazole |
CAS: |
524740-42-9 |
Synonyms: |
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole; 5-Bromo-1-methyl-3-(trifluoromethyl)pyrazole; 5-BROMO-1-METHYL-3-(TRIFLUOROMETHYL)-PYRAZOLE |
IUPAC Name: | 5-bromo-1-methyl-3-(trifluoromethyl)pyrazole |
Description: | 5-Bromo-1-methyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 229 |
Molecular Formula: | C5H4BrF3N2 |
Canonical SMILES: | CN1C(=CC(=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C5H4BrF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3 |
InChI Key: | HBGAUXPKRSEUFW-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.951 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.951 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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