4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole

HCID 4206950CAS 91366-64-2

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Basic information

Standard SMILES: O=S(=O)(Cl)c1ccc(F)c2nonc12
InChIKey: ULAADSMIEGGGMT-UHFFFAOYSA-N
Molecular formula: C6H2ClFN2O3S
Average molar mass: 236.61 g/mol
Monoisotopic mass: 235.94586882

Names & identifiers

Preferred name: 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
IUPAC: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride
English name: 2,1,3-Benzoxadiazole-4-sulfonylchloride,7-fluoro-(9CI)
Molecular formula: C6H2ClFN2O3S
Molecular weight: 236.61

Names & synonyms

91366-64-24-(CHLOROSULFONYL)-7-FLUORO-2,1,3-BENZOXADIAZOLE7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride7-Fluorobenzo[c][1,2,5]oxadiazole-4-sulfonyl chloride2,1,3-Benzoxadiazole-4-sulfonylchloride, 7-fluoro-SCHEMBL10693669DTXSID00400849ULAADSMIEGGGMT-UHFFFAOYSA-NMFCD03425535AKOS006222493DB-3051274-chlorosulfonyl-7-fluoro-2,1,3-benzoxadiazole

Show more names

7-Fluoro-4-benzofurazansulfonyl Chloride2,1,3-Benzoxadiazole-4-sulfonyl chloride, 7-fluoro-7-fluorobenzo[c][1,2,5]oxadiazole-4-sulfonylchloride2,1,3-Benzoxadiazole-4-sulfonylchloride,7-fluoro-(9CI)

7-Fluoro-2,1,3- benZoxadiaZole-4-sulfonylchloride

Database identifiers

CAS: 91366-64-2
PubChem CID: 4206950
DTXSID: DTXSID00400849
Nikkaji: J1.014.886C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 320

Physicochemical properties

Melting point: 66 · 66-68°C
storage temp.: -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
color: Off-White to Dark Brown
Stability: Light Sensitive
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338