845823-04-3

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845823-04-3 Structure

Identification	Back Directory
[Name] 4-fluoro-2-methylbenzenethiol
[CAS] 845823-04-3
[Synonyms] 4-fluoro-2-methylbenzenethiol 5-Fluoro-2-thiotoluene, 4-Fluoro-2-methylbenzenethiol
[Molecular Formula] C7H7FS
[MDL Number] MFCD06201800
[MOL File] 845823-04-3.mol
[Molecular Weight] 142.19

Chemical Properties	Back Directory
[Boiling point ] 186.7±20.0 °C(Predicted)
[density ] 1.160±0.06 g/cm3(Predicted)
[storage temp. ] under inert gas (nitrogen or Argon) at 2-8°C
[form ] solid
[pka] 6.61±0.48(Predicted)
[Appearance] Colorless to light yellow Liquid
[InChI] 1S/C7H7FS/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
[InChIKey] ZEKNCCBACRDOAR-UHFFFAOYSA-N
[SMILES] SC1=C(C)C=C(F)C=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319-H335
[Precautionary statements ] P271-P260-P280
[WGK Germany ] WGK 3
[HS Code ] 2930909899
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Spectrum Detail	Back Directory
[Spectrum Detail] 4-fluoro-2-methylbenzenethiol(845823-04-3)¹HNMR

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