| Identification | More | [Name]
3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID | [CAS]
946-65-6 | [Synonyms]
3-TRIFLUOROMETHYLSULFANYL-BENZOIC ACID
3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
RARECHEM AL BO 0859
3-(Trifluoromethylthio)benzoic acid 98%
3-(Trifluoromethylthio)benzoicacid98%
3-[(Trifluoromethyl)-mercapto]-benzoic acid | [Molecular Formula]
C8H5F3O2S | [MDL Number]
MFCD00236337 | [Molecular Weight]
222.18 | [MOL File]
946-65-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
71-74 °C (lit.) | [Boiling point ]
229.5±40.0 °C(Predicted) | [density ]
1.50±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
tiny crystalline needles | [pka]
3.80±0.10(Predicted) | [color ]
White to off white | [Sensitive ]
Stench | [InChI]
1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | [InChIKey]
IVGAPIVNQABETQ-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cccc(SC(F)(F)F)c1 | [CAS DataBase Reference]
946-65-6(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
| [Hazard Note ]
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 | [Uses]
3-(Trifluoromethylthio)benzoic acid has trifluoromethylthio group. This group is useful for the preparation of new dyes, medicinal agents and novel heterocyclic systems. | [General Description]
3-(Trifluoromethylthio)benzoic acid has trifluoromethylthio group. This group is useful for the preparation of new dyes, medicinal agents and novel heterocyclic systems. |
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