399-75-7

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399-75-7 Structure

Identification	More
[Name] 5-FLUORO-2-METHYLBENZOTHIAZOLE
[CAS] 399-75-7
[Synonyms] 2-METHYL-5-FLUOROBENZOTHIAZOLE 5-FLUORO-2-METHYLBENZOTHIAZOLE Benzothiazole, 5-fluoro-2-methyl-(7CI,8CI,9CI) 5-Fluoro-2-methylbenzothiazole 97% 5-Fluoro-2-methylbenzothiazole97% 5-FLUORO-2-METHYLBENZOTHIAZOLE 95+% GC
[Molecular Formula] C8H6FNS
[MDL Number] MFCD00135018
[Molecular Weight] 167.2
[MOL File] 399-75-7.mol

Chemical Properties	Back Directory
[Boiling point ] 110-112 °C7 mm Hg(lit.)
[density ] 1.256 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.584(lit.)
[Fp ] 185 °F
[storage temp. ] Refrigerator, under inert atmosphere
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Oil
[pka] 1.51±0.10(Predicted)
[color ] Colourless to Pale Yellow
[Specific Gravity] 1.256
[InChI] InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
[InChIKey] LDBFGRGBYVULTJ-UHFFFAOYSA-N
[SMILES] S1C2=CC=C(F)C=C2N=C1C
[CAS DataBase Reference] 399-75-7(CAS DataBase Reference)

Safety Data	Back Directory
[Hazard Codes ] Xi
[WGK Germany ] 3
[Hazard Note ] Irritant
[HS Code ] 2934208090
[Storage Class] 10 - Combustible liquids

Raw materials And Preparation Products	Back Directory
[Raw materials] Benzene-->Pyridine-->Sodium hydride-->Iron-->Phosphorus pentasulfide-->1,4-Difluorobenzene

Hazard Information	Back Directory
[Uses] 5-Fluoro-2-methylbenzothiazole is a useful reactant in the preparation of antileishmanial drug candidates.

Spectrum Detail	Back Directory
[Spectrum Detail] 5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7)MS 5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7)¹HNMR 5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7)¹³CNMR 5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7)IR1 5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7)Raman

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 399-75-7(sigmaaldrich)
[TCI AMERICA] 5-Fluoro-2-methylbenzothiazole,>95.0%(GC)(399-75-7)

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399-75-7

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