2-Fluoro-5-methylbenzenesulfonyl chloride - CAS 870704-14-6
Catalog: |
BB038223 |
Product Name: |
2-Fluoro-5-methylbenzenesulfonyl chloride |
CAS: |
870704-14-6 |
Synonyms: |
2-fluoro-5-methylbenzenesulfonyl chloride |
IUPAC Name: | 2-fluoro-5-methylbenzenesulfonyl chloride |
Description: | 2-Fluoro-5-methylbenzenesulfonyl chloride (CAS# 870704-14-6) is a useful research chemical. |
Molecular Weight: | 208.64 |
Molecular Formula: | C7H6ClFO2S |
Canonical SMILES: | CC1=CC(=C(C=C1)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4H,1H3 |
InChI Key: | MOZTWWZAQLPJMT-UHFFFAOYSA-N |
Boiling Point: | 268.6 °C at 760 mmHg |
Melting Point: | 32-34 °C |
Purity: | 95 % |
Density: | 1.423 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04039785 |
LogP: | 3.14240 |
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 |
EP-3712143-A1 | Quinazolinone compound and application thereof | 20171113 |
US-2020317660-A1 | Quinazolinone Compound and Application Thereof | 20171113 |
US-2020308122-A1 | Novel non-systemic tgr5 agonists | 20160701 |
CN-109526219-A | Benzsulfamide and its purposes as therapeutic agent | 20160520 |
EP-3404017-A1 | Fluorine atom-containing compound and use thereof | 20160114 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9761065 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9761065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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