3,4-Dichlorobenzenesulfonyl chloride - CAS 98-31-7
Catalog: |
BB042138 |
Product Name: |
3,4-Dichlorobenzenesulfonyl chloride |
CAS: |
98-31-7 |
Synonyms: |
Benzenesulfonyl chloride, 3,4-dichloro-; 3,4-Dichlorobenzene-1-sulfonyl chloride; 3,4-Dichlorophenylsulfonyl chloride; NSC 2651 |
IUPAC Name: | 3,4-dichlorobenzenesulfonyl chloride |
Description: | 3,4-Dichlorobenzenesulfonyl chloride (CAS# 98-31-7) is used as a reactant in the preparation of pyrazoles as inhibitors of macrophage migration inhibitory factor. |
Molecular Weight: | 245.51 |
Molecular Formula: | C6H3Cl3O2S |
Canonical SMILES: | C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl |
InChI: | InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H |
InChI Key: | NYIBPWGZGSXURD-UHFFFAOYSA-N |
Boiling Point: | 315.0±27.0°C at 760 mmHg |
Melting Point: | 67-69°C |
Purity: | 95% |
Density: | 1.636±0.06 g/cm3 |
Appearance: | White or Colorless to Almost White or Almost Colorless Powder to Lump to Clear Liquid |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00041255 |
LogP: | 4.00170 |
GHS Hazard Statement: | H226 (83.33%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021165346-A1 | Gcn2 modulator compounds | 20200217 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
WO-2021102314-A1 | Trpv4 receptor ligands | 20191121 |
CN-110590708-A | Aroyl piperazine compound, preparation method thereof and application thereof in antivirus | 20190924 |
CN-110590708-B | Aroyl piperazine compound, preparation method thereof and application thereof in antivirus | 20190924 |
PMID | Publication Date | Title | Journal |
22220088 | 20111101 | 4-Allyl-2-meth-oxy-phenyl 3,4-dichloro-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.891934 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.891934 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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