2-Chloro-5-fluorobenzenesulfonyl Chloride - CAS 82875-86-3
Catalog: |
BB036930 |
Product Name: |
2-Chloro-5-fluorobenzenesulfonyl Chloride |
CAS: |
82875-86-3 |
Synonyms: |
2-chloro-5-fluorobenzenesulfonyl chloride; 2-chloro-5-fluorobenzenesulfonyl chloride |
IUPAC Name: | 2-chloro-5-fluorobenzenesulfonyl chloride |
Description: | 2-Chloro-5-fluorobenzenesulfonyl Chloride (CAS# 82875-86-3) is a useful research chemical. |
Molecular Weight: | 229.06 |
Molecular Formula: | C6H3Cl2FO2S |
Canonical SMILES: | C1=CC(=C(C=C1F)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C6H3Cl2FO2S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3H |
InChI Key: | IKUKZLDGZFXXNE-UHFFFAOYSA-N |
Boiling Point: | 282.838 °C at 760 mmHg |
Density: | 1.61 g/cm3 |
LogP: | 3.48740 |
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 |
Publication Number | Title | Priority Date |
CN-108698982-A | Compound containing fluorine atom and its utilization | 20160114 |
EP-3404017-A1 | Fluorine atom-containing compound and use thereof | 20160114 |
EP-3404017-B1 | Fluorine atom-containing compound and use thereof | 20160114 |
JP-WO2017122649-A1 | Fluorine atom-containing compound and use thereof | 20160114 |
KR-20180101510-A | Fluorine atom-containing compounds and their use | 20160114 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9214841 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9214841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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