ChemicalBook--->CAS DataBase List--->946-65-6

946-65-6

946-65-6 Structure

946-65-6 Structure
IdentificationMore
[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 PropertiesBack 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 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 .
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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID(946-65-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(Trifluoromethylthio)benzoic acid, 97%(946-65-6)
[Sigma Aldrich]

946-65-6(sigmaaldrich)
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