4-Iodobenzenesulfonyl chloride - CAS 98-61-3
Catalog: |
BB042198 |
Product Name: |
4-Iodobenzenesulfonyl chloride |
CAS: |
98-61-3 |
Synonyms: |
4-iodobenzenesulfonyl chloride |
IUPAC Name: | 4-iodobenzenesulfonyl chloride |
Description: | 4-Iodobenzenesulfonyl chloride (CAS# 98-61-3) is a useful research chemical. |
Molecular Weight: | 302.52 |
Molecular Formula: | C6H4ClIO2S |
Canonical SMILES: | C1=CC(=CC=C1S(=O)(=O)Cl)I |
InChI: | InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H |
InChI Key: | POXFXTSTVWDWIR-UHFFFAOYSA-N |
Melting Point: | 80-84 °C |
Density: | 2.041 g/cm3 |
Appearance: | White to beige or orange crystals or |
Storage: | Store in a tightly closed container. Corrosives area. Store protected from moisture. Store in a cool, dry area away from incompatible substances. |
MDL: | MFCD00007441 |
LogP: | 3.29950 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21816667 | 20111101 | Molecular structure, vibrational spectroscopic, first hyperpolarizability, NBO and HOMO, LUMO studies of P-Iodobenzene sulfonyl chloride | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21581348 | 20081120 | N,N-Dimethyl-acetamide-4-iodo-benzene-sulfonic acid-water (1/1/1) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.86653 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.86653 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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