1-Phenyl-1H-pyrazole-4-sulfonyl Chloride - CAS 18336-37-3
Catalog: |
BB058221 |
Product Name: |
1-Phenyl-1H-pyrazole-4-sulfonyl Chloride |
CAS: |
18336-37-3 |
Synonyms: |
1-Phenylpyrazole-4-sulfonyl Chloride |
IUPAC Name: | 1-phenylpyrazole-4-sulfonyl chloride |
Description: | 1-Phenyl-1H-pyrazole-4-sulfonyl chloride (cas# 18336-37-3) is a useful research chemical for organic synthesis processes. |
Molecular Weight: | 242.68 |
Molecular Formula: | C9H7N2O2SCl |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C=N2)S(=O)(=O)Cl |
InChI: | InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h1-7H |
InChI Key: | PCXMOXHSEXNGMP-UHFFFAOYSA-N |
References: | Barry, W. J., et al. J. Chem. Soc., 9, 1120 (1968). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 |
Publication Number | Title | Priority Date |
WO-2007030559-A2 | 1, 3-disubstituted indole derivatives for use as ppar modulators | 20050907 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9916763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9916763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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