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845823-04-3

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845823-04-3 Structure

845823-04-3 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 DetailBack Directory
[Spectrum Detail]

4-fluoro-2-methylbenzenethiol(845823-04-3)1HNMR
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