3-Chlorobenzenesulfonyl chloride - CAS 2888-06-4
Catalog: |
BB019996 |
Product Name: |
3-Chlorobenzenesulfonyl chloride |
CAS: |
2888-06-4 |
Synonyms: |
Benzenesulfonyl chloride, 3-chloro-; Benzenesulfonyl chloride, m-chloro-; 3-Chlorobenzene-1-sulfonyl chloride; 3-Chlorophenylsulfonyl chloride; m-Chlorobenzenesulfonyl chloride |
IUPAC Name: | 3-chlorobenzenesulfonyl chloride |
Molecular Weight: | 211.07 |
Molecular Formula: | C6H4Cl2O2S |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H |
InChI Key: | OINWZUJVEXUHCC-UHFFFAOYSA-N |
Boiling Point: | 142-145°C at 16 Torr |
Melting Point: | 21°C |
Purity: | ≥95% |
Density: | 1.529±0.06 g/cm3 |
Appearance: | Clear Yellow Liquid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
LogP: | 3.34830 |
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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Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.9309059 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.9309059 |
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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