ChemicalBook--->CAS DataBase List--->42580-42-7

42580-42-7

42580-42-7 Structure

42580-42-7 Structure
IdentificationMore
[Name]

2,5-Bis(trifluoromethyl)benzoic acid
[CAS]

42580-42-7
[Synonyms]

2,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID
2,5-DI(TRIFLUOROMETHYL)BENZOIC ACID
RARECHEM AL BO 1002
2,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 98 %
2,5-Bis(trifluoromethyl)benzoic acid 98%
[EINECS(EC#)]

625-656-0
[Molecular Formula]

C9H4F6O2
[MDL Number]

MFCD00013249
[Molecular Weight]

258.12
[MOL File]

42580-42-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

78-80 °C(lit.)
[Boiling point ]

248.5±40.0 °C(Predicted)
[density ]

1.527±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.80±0.36(Predicted)
[InChI]

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

PINBPLCVZSKLTF-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
[CAS DataBase Reference]

42580-42-7(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 .
[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 to light yellow crystal powder
[Uses]

2,5-Bis(trifluoromethyl)benzoic acid may be used in chemical synthesis.
[Definition]

ChEBI: A benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Bis(trifluoromethyl)benzoic acid(42580-42-7)1HNMR
2,5-Bis(trifluoromethyl)benzoic acid(42580-42-7)IR
2,5-Bis(trifluoromethyl)benzoic acid(42580-42-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,5-Bis(trifluoromethyl)benzoic acid, 98%(42580-42-7)
[Sigma Aldrich]

42580-42-7(sigmaaldrich)
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