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24821-22-5

24821-22-5 Structure

24821-22-5 Structure
IdentificationMore
[Name]

2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID
[CAS]

24821-22-5
[Synonyms]

2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID
2,6-DI(TRIFLUOROMETHYL)BENZOIC ACID
BUTTPARK 44\01-73
RARECHEM AL BO 0513
TIMTEC-BB SBB000962
Benzoic acid, 2,6-bis(trifluoromethyl)-
2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 98 %
2,6-Bis(trifluoromethyl)benzoic acid 98%
2,6-BIS(TRIFLUOROMETHYL)BENZIOC ACID
[EINECS(EC#)]

246-479-1
[Molecular Formula]

C9H4F6O2
[MDL Number]

MFCD00000376
[Molecular Weight]

258.12
[MOL File]

24821-22-5.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

138-140 °C (lit.)
[Boiling point ]

220℃
[density ]

1.527
[Fp ]

87℃
[storage temp. ]

Store at room temperature
[form ]

Crystalline Powder
[pka]

2.27±0.50(Predicted)
[color ]

White
[Water Solubility ]

Soluble in water.
[BRN ]

2057459
[InChI]

1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
[InChIKey]

XZNLSDPNMNWCRE-UHFFFAOYSA-N
[SMILES]

OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F
[CAS DataBase Reference]

24821-22-5(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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[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
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

2,6-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 2,6-Bis(trifluoromethyl)benzoic acid has also been identified as a chemical hybridizing agent in wheat.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID(24821-22-5)1HNMR
2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID(24821-22-5)FT-IR
2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID(24821-22-5)IR
2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID(24821-22-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,6-Bis(trifluoromethyl)benzoic acid, 98%(24821-22-5)
[Sigma Aldrich]

24821-22-5(sigmaaldrich)
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