2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide - CAS 124170-23-6
Catalog: |
BB005817 |
Product Name: |
2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide |
CAS: |
124170-23-6 |
Synonyms: |
2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide |
IUPAC Name: | 2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide |
Description: | 2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (CAS# 124170-23-6 ) is a useful research chemical. |
Molecular Weight: | 215.24 |
Molecular Formula: | C9H10FNO2S |
Canonical SMILES: | CC1(C2=CC=CC=C2S(=O)(=O)N1F)C |
InChI: | InChI=1S/C9H10FNO2S/c1-9(2)7-5-3-4-6-8(7)14(12,13)11(9)10/h3-6H,1-2H3 |
InChI Key: | VMDJWSACUFRJRE-UHFFFAOYSA-N |
Boiling Point: | 307.6 °C at 760 mmHg |
Melting Point: | 115-117 °C |
Purity: | 95 % |
Density: | 1.41 g/cm3 |
Appearance: | Beige crystalline |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.82920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019232245-A1 | A method for fluorinated ring-opening of a substrate | 20180601 |
US-2020392135-A1 | Organic compounds | 20160325 |
US-2019077797-A1 | Processes for preparing 2-dihalo ribolactones | 20151030 |
CA-2880178-A1 | Difluoromethylene compound | 20120727 |
DK-2878594-T3 | DIFLUOROMETHYLENE COMPOUND | 20120727 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.04162790 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.04162790 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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