| Identification | More | [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 Properties | Back 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 Data | Back 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 Information | Back 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. |
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