2-(Trifluoromethoxy)benzenesulfonyl chloride - CAS 103008-51-1
Catalog: |
BB000985 |
Product Name: |
2-(Trifluoromethoxy)benzenesulfonyl chloride |
CAS: |
103008-51-1 |
Synonyms: |
2-(trifluoromethoxy)benzenesulfonyl chloride |
IUPAC Name: | 2-(trifluoromethoxy)benzenesulfonyl chloride |
Description: | 2-(Trifluoromethoxy)benzenesulfonyl chloride (CAS# 103008-51-1) is a useful research chemical. |
Molecular Weight: | 260.62 |
Molecular Formula: | C7H4ClF3O3S |
Canonical SMILES: | C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-4-2-1-3-5(6)14-7(9,10)11/h1-4H |
InChI Key: | JLTBWYIUMFEOTN-UHFFFAOYSA-N |
Boiling Point: | 75-77 °C (1 mmHg) |
Melting Point: | 27-31 °C |
Purity: | 98 % |
Density: | 1.565 g/cm3 |
Solubility: | Reacts with water |
Appearance: | White to off-white solid; or colorless to light yellow liquid |
MDL: | MFCD00052316 |
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 |
Publication Number | Title | Priority Date |
CN-113121467-A | Benzothiazole derivative and medical application thereof | 20210420 |
CN-112159299-A | Synthesis method of visible light promoted aryl tertiary sulfonamide compound | 20201014 |
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WO-2021116703-A1 | COMPOUNDS AND THEIR USE FOR THE TREATMENT OF α1-ANTITRYPSIN DEFICIENCY | 20191213 |
WO-2021102314-A1 | Trpv4 receptor ligands | 20191121 |
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: | 3.1 |
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