1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride - CAS 957261-55-1
Catalog: |
BB047262 |
Product Name: |
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride |
CAS: |
957261-55-1 |
Synonyms: |
chloro(1-ethyl-5-methylpyrazol-4-yl)sulfone |
IUPAC Name: | 1-ethyl-5-methylpyrazole-4-sulfonyl chloride |
Description: | 1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride (CAS# 957261-55-1 ) is a useful research chemical. |
Molecular Weight: | 208.67 |
Molecular Formula: | C6H9ClN2O2S |
Canonical SMILES: | CCN1C(=C(C=N1)S(=O)(=O)Cl)C |
InChI: | InChI=1S/C6H9ClN2O2S/c1-3-9-5(2)6(4-8-9)12(7,10)11/h4H,3H2,1-2H3 |
InChI Key: | WTCIDIPYELTAMF-UHFFFAOYSA-N |
Boiling Point: | 313.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0073264 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0073264 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Related Functional Groups
Halides
Pyrazoles
Sulfur Compounds
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