1-methyl-1H-pyrazole-3-sulfonyl chloride - CAS 89501-90-6
Catalog: |
BB053477 |
Product Name: |
1-methyl-1H-pyrazole-3-sulfonyl chloride |
CAS: |
89501-90-6 |
Synonyms: |
1H-Pyrazole-3-sulfonyl chloride, 1-methyl- |
IUPAC Name: | 1-methylpyrazole-3-sulfonyl chloride |
Molecular Weight: | 180.61 |
Molecular Formula: | C4H5ClN2O2S |
Canonical SMILES: | CN1C=CC(=N1)S(=O)(=O)Cl |
InChI: | InChI=1S/C4H5ClN2O2S/c1-7-3-2-4(6-7)10(5,8)9/h2-3H,1H3 |
InChI Key: | TWLAHGNFQBQYEL-UHFFFAOYSA-N |
Boiling Point: | 295.7±13.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.6±0.1 g/cm3 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.9760263 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.9760263 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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