3-Iodo-1-methyl-1H-pyrazole - CAS 92525-10-5
Catalog: |
BB040555 |
Product Name: |
3-Iodo-1-methyl-1H-pyrazole |
CAS: |
92525-10-5 |
Synonyms: |
3-iodo-1-methylpyrazole |
IUPAC Name: | 3-iodo-1-methylpyrazole |
Description: | 3-Iodo-1-methyl-1H-pyrazole (CAS# 92525-10-5) is a useful research chemical. |
Molecular Weight: | 208.00 |
Molecular Formula: | C4H5IN2 |
Canonical SMILES: | CN1C=CC(=N1)I |
InChI: | InChI=1S/C4H5IN2/c1-7-3-2-4(5)6-7/h2-3H,1H3 |
InChI Key: | SITJXRWLFQGWCB-UHFFFAOYSA-N |
Boiling Point: | 226.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 2.07 g/cm3 |
MDL: | MFCD08435890 |
LogP: | 1.02470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111499566-A | Pyridine derivative compound and preparation method thereof | 20200430 |
WO-2021185793-A1 | Tetrazole derivatives | 20200319 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
CN-110734456-A | compounds, preparation method and medical application thereof | 20191106 |
CN-112300160-A | Spiro aromatic ring compound, preparation and application thereof | 20190801 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.94975 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.94975 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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