4-Iodo-3,5-bis(trifluoromethyl)-1h-pyrazole - CAS 1239511-06-8
Catalog: |
BB060670 |
Product Name: |
4-Iodo-3,5-bis(trifluoromethyl)-1h-pyrazole |
CAS: |
1239511-06-8 |
Synonyms: |
4-Iodo-3,5-bis(trifluoromethyl)-1h-pyrazole; 4-Iodo-3,5-bis-(trifluoroMethyl)-1H-pyrazole, 97per cent; 3,5-Bis(trifluoromethyl)-4-iodo-1H-pyrazole |
IUPAC Name: | 4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole |
Description: | 4-Iodo-3,5-bis(trifluoromethyl)-1h-pyrazole |
Molecular Weight: | 329.97 |
Molecular Formula: | C5HF6IN2 |
Canonical SMILES: | C1(=C(NN=C1C(F)(F)F)C(F)(F)F)I |
InChI: | InChI=1S/C5HF6IN2/c6-4(7,8)2-1(12)3(14-13-2)5(9,10)11/h(H,13,14) |
InChI Key: | OTYORVJCWWESOF-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: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.90886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.90886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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