2,4,5-Trichlorobenzenesulfonyl chloride - CAS 15945-07-0
Catalog: |
BB011534 |
Product Name: |
2,4,5-Trichlorobenzenesulfonyl chloride |
CAS: |
15945-07-0 |
Synonyms: |
2,4,5-trichlorobenzenesulfonyl chloride |
IUPAC Name: | 2,4,5-trichlorobenzenesulfonyl chloride |
Description: | 2,4,5-Trichlorobenzenesulfonyl chloride (CAS# 15945-07-0) is a useful building block for organic synthesis. |
Molecular Weight: | 279.96 |
Molecular Formula: | C6H2Cl4O2S |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H |
InChI Key: | WNVVRCKTQSCPAC-UHFFFAOYSA-N |
Boiling Point: | 345 °C at 760 mmHg |
Melting Point: | 68-70 °C |
Purity: | 99 % |
Density: | 1.728 g/cm3 |
Appearance: | White or cream solid |
Storage: | Store at RT. |
MDL: | MFCD00007428 |
LogP: | 4.65510 |
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 |
22771567 | 20121101 | Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.850011 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.852961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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