ChemicalBook--->CAS DataBase List--->330-17-6

330-17-6

330-17-6 Structure

330-17-6 Structure
IdentificationMore
[Name]

4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
[CAS]

330-17-6
[Synonyms]

4-TRIFLUOROMETHYLSULFANYL-BENZOIC ACID
4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
RARECHEM AL BO 0420
4-trifluomethylthio-benzoic acid
4-(Trifluoromethylthio)benzoic acid 98%
4-(Trifluoromethylthio)benzoicacid98%
-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
p-(Trifluoromethylthio)benzoic acid
4-(trifluoromethylthil) benzoic acid
[EINECS(EC#)]

625-833-2
[Molecular Formula]

C8H5F3O2S
[MDL Number]

MFCD00040906
[Molecular Weight]

222.18
[MOL File]

330-17-6.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

159.5-162.5 °C(lit.)
[Boiling point ]

227.6±40.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

3.76±0.10(Predicted)
[color ]

White to Almost white
[Sensitive ]

Stench
[BRN ]

2693449
[InChI]

1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
[InChIKey]

UMOGQQWVQUQTQA-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(SC(F)(F)F)cc1
[CAS DataBase Reference]

330-17-6(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
[HazardClass ]

IRRITANT
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

White Solid
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID(330-17-6)MS
4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID(330-17-6)1HNMR
4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID(330-17-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(Trifluoromethylthio)benzoic acid, 97%(330-17-6)
[Sigma Aldrich]

330-17-6(sigmaaldrich)
[TCI AMERICA]

4-(Trifluoromethylthio)benzoic Acid,>97.0%(GC)(T)(330-17-6)
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