4-Fluoro-2-(trifluoromethyl)benzenesulfonyl chloride - CAS 176225-09-5
Catalog: |
BB013202 |
Product Name: |
4-Fluoro-2-(trifluoromethyl)benzenesulfonyl chloride |
CAS: |
176225-09-5 |
Synonyms: |
4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 4-Fluoro-2-(trifluoromethyl)benzenesulfonyl chloride (CAS# 176225-09-5) is a useful research chemical. |
Molecular Weight: | 262.61 |
Molecular Formula: | C7H3ClF4O2S |
Canonical SMILES: | C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H |
InChI Key: | IGMYEVQPXWKFQF-UHFFFAOYSA-N |
Boiling Point: | 76 ℃ / 0.5 mmHg |
Melting Point: | 54-56 ℃ |
Purity: | 95 % |
Density: | 1.603 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01091000 |
LogP: | 3.85280 |
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 |
WO-2020104494-A1 | New heterocyclic compounds | 20181122 |
TW-202039513-A | New heterocyclic compounds | 20181122 |
CN-113166170-A | Novel heterocyclic compounds | 20181122 |
EP-3883936-A1 | New heterocyclic compounds | 20181122 |
KR-20210094540-A | heterocyclic compounds | 20181122 |
PMID | Publication Date | Title | Journal |
21775478 | 20111001 | Reduced diffusion of charge-modified, conformationally intact anionic Ficoll relative to neutral Ficoll across the rat glomerular filtration barrier in vivo | American journal of physiology. Renal physiology |
19846572 | 20100101 | Size and conformation of Ficoll as determined by size-exclusion chromatography followed by multiangle light scattering | American journal of physiology. Renal physiology |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.9478409 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.9478409 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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