5-Iodo-3-(trifluoromethyl)-1H-pyrazole - CAS 1015780-53-6
Catalog: |
BB051453 |
Product Name: |
5-Iodo-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
1015780-53-6 |
Synonyms: |
1H-Pyrazole, 5-iodo-3-(trifluoromethyl)- |
IUPAC Name: | 3-iodo-5-(trifluoromethyl)-1H-pyrazole |
Molecular Weight: | 261.97 |
Molecular Formula: | C4H2F3IN2 |
Canonical SMILES: | C1=C(NN=C1I)C(F)(F)F |
InChI: | InChI=1S/C4H2F3IN2/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H,9,10) |
InChI Key: | YBXYQFSOMKXHDQ-UHFFFAOYSA-N |
Boiling Point: | 269.4±35.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 2.2±0.1 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.92148 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.92148 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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