ChemicalBook--->CAS DataBase List--->85068-33-3

85068-33-3

85068-33-3 Structure

85068-33-3 Structure
IdentificationMore
[Name]

3,5-Bis(trifluoromethyl)phenylacetic acid
[CAS]

85068-33-3
[Synonyms]

2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETIC ACID
3,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID
3,5-DI(TRIFLUOROMETHYL)PHENYLACETIC ACID
MBT-PAA
RARECHEM AL BO 0246
TIMTEC-BB SBB001068
3,5-Bis(Trifluoromethyl)PhenylaceticAicid
3,5-Bis(trifluoromethyl)phenylacetic acid 98%
3,5-BIS(TRIFLUOROMETHYL)PHEYLACETIC ACID
3,5-Bis(trifluoromethyl)phenylaceticacid98%
TRIFLUOROMETHYL PHENYLACETIC ACID
3,5-Bis(trifluoromethyl)benzeneacetic acid
[EINECS(EC#)]

285-295-6
[Molecular Formula]

C10H6F6O2
[MDL Number]

MFCD00009908
[Molecular Weight]

272.14
[MOL File]

85068-33-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige powder
[Melting point ]

121-123 °C (lit.)
[Boiling point ]

227.7±35.0 °C(Predicted)
[density ]

1.4478 (estimate)
[storage temp. ]

Store at room temperature
[solubility ]

methanol: soluble25mg/mL, clear, colorless
[form ]

powder to crystal
[pka]

3.99±0.10(Predicted)
[color ]

White to Almost white
[Detection Methods]

HPLC,NMR
[BRN ]

6813447
[InChI]

1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
[InChIKey]

PAWSKKHEEYTXSA-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
[CAS DataBase Reference]

85068-33-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, 3,5-bis(trifluoromethyl)-(85068-33-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-[3,5-Di(trifluoromethyl)phenyl]acetic acid(85068-33-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige powder
[Uses]

3,5-Bis(trifluoromethyl)phenylacetic acid has been used:
  • as building block to synthesize the pentaamine and bis-heterocyclic libraries
  • in determination of ionic perfluorinated substances and telomers in leachates from landfills and sediment samples
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)MS
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)1HNMR
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)13CNMR
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)IR1
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)IR2
3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Bis(trifluoromethyl)phenylacetic acid, 98%(85068-33-3)
[Alfa Aesar]

3,5-Bis(trifluoromethyl)phenylacetic acid, 97%(85068-33-3)
[Sigma Aldrich]

85068-33-3(sigmaaldrich)
[TCI AMERICA]

3,5-Bis(trifluoromethyl)phenylacetic Acid,>97.0%(T)(85068-33-3)
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