ChemicalBook--->CAS DataBase List--->13333-97-6

13333-97-6

13333-97-6 Structure

13333-97-6 Structure
IdentificationMore
[Name]

2-(TRIFLUOROMETHYL)THIOPHENOL
[CAS]

13333-97-6
[Synonyms]

2-MERCAPTOBENZOTRIFLUORIDE
2-(TRIFLUOROMETHYL)BENZENETHIOL
2-(TRIFLUOROMETHYL)THIOPHENOL
2-(Trifluoromethyl)benzenethiol, 95+%
2-(Trifluoromethyl)thiophenol 97%
2-(Trifluoromethyl)thiophenol97%
[EINECS(EC#)]

625-464-7
[Molecular Formula]

C7H5F3S
[MDL Number]

MFCD00068896
[Molecular Weight]

178.17
[MOL File]

13333-97-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

175-177 °C(lit.)
[density ]

1.35 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.499(lit.)
[Fp ]

155 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

clear liquid
[pka]

5.67±0.43(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Sensitive ]

Stench
[BRN ]

2441965
[InChI]

1S/C7H5F3S/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
[InChIKey]

XVGQHRKNXSUPEF-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1ccccc1S
[CAS DataBase Reference]

13333-97-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3334
[WGK Germany ]

3
[Hazard Note ]

Irritant/Stench
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

2-(Trifluoromethyl)thiophenol is a useful research chemical used in the preparation of 3,4-dihydropyrido[3,2-d]pyrimidone p38 MAP kinase inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(TRIFLUOROMETHYL)THIOPHENOL(13333-97-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-(trifluoromethyl)benzenethiol(13333-97-6)
[Alfa Aesar]

2-(Trifluoromethyl)thiophenol, 97%(13333-97-6)
[Sigma Aldrich]

13333-97-6(sigmaaldrich)
[TCI AMERICA]

2-(Trifluoromethyl)benzenethiol,>95.0%(GC)(T)(13333-97-6)
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