| Identification | More | [Name]
4-(Trifluoromethylthio)phenol | [CAS]
461-84-7 | [Synonyms]
4-Trifluoromethylmercaptophenol
4-TRIFLUOROMETHYLSULFANYL-PHENOL
4-(TRIFLUOROMETHYLTHIO)PHENOL
IFLAB-BB F2108-0151 | [EINECS(EC#)]
620-583-0 | [Molecular Formula]
C7H5F3OS | [MDL Number]
MFCD00036035 | [Molecular Weight]
194.17 | [MOL File]
461-84-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
57-60 °C (lit.) | [Boiling point ]
77-78 °C/7 mmHg (lit.) | [density ]
1.45 | [Fp ]
57°C | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
8.53±0.13(Predicted) | [color ]
White to Almost white | [Sensitive ]
Stench | [InChI]
InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H | [InChIKey]
YYCPTWHVKSATQK-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(SC(F)(F)F)C=C1 | [CAS DataBase Reference]
461-84-7(CAS DataBase Reference) |
| Safety Data | Back 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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT, STENCH | [HS Code ]
2930909899 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless or light yellow crystalline | [Uses]
4-(Trifluoromethylthio)phenol may be used in the preparation of phenylamino derivative, which is an important intermediate in the synthesis of toltrazuril. | [General Description]
4-(Trifluoromethylthio)phenol undergoes reaction with NBS (N-Bromosuccinimide), NIS (N-Iodosuccinimide), HNO3, HNO3/H2SO4 and 4-bromobenzyl bromide to afford bromo-, iodo-, nitro- and benzyl substituted products. |
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