3-(Trifluoromethoxy)benzenesulfonyl chloride - CAS 220227-84-9
Catalog: |
BB017289 |
Product Name: |
3-(Trifluoromethoxy)benzenesulfonyl chloride |
CAS: |
220227-84-9 |
Synonyms: |
3-(trifluoromethoxy)benzenesulfonyl chloride |
IUPAC Name: | 3-(trifluoromethoxy)benzenesulfonyl chloride |
Description: | 3-(Trifluoromethoxy)benzenesulfonyl chloride (CAS# 220227-84-9) is a useful research chemical. |
Molecular Weight: | 260.62 |
Molecular Formula: | C7H4ClF3O3S |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)Cl)OC(F)(F)F |
InChI: | InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-2-5(4-6)14-7(9,10)11/h1-4H |
InChI Key: | DODDSXTWDSJCDN-UHFFFAOYSA-N |
Boiling Point: | 261.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.530 g/cm3 |
MDL: | MFCD01091016 |
LogP: | 3.59350 |
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: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.9521773 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.9521773 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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