Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate - CAS 75092-25-0
Catalog: |
BB052070 |
Product Name: |
Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate |
CAS: |
75092-25-0 |
Synonyms: |
1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-, methyl ester |
IUPAC Name: | methyl 4-iodo-1-methylpyrazole-3-carboxylate |
Molecular Weight: | 266.04 |
Molecular Formula: | C6H7IN2O2 |
Canonical SMILES: | CN1C=C(C(=N1)C(=O)OC)I |
InChI: | InChI=1S/C6H7IN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3 |
InChI Key: | CGLLWUVTXPXZMG-UHFFFAOYSA-N |
Purity: | 95% |
GHS Hazard Statement: | 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, 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: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.95523 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.95523 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Carbonyl Compounds
Halides
Oxygen Compounds
Pyrazoles
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