| Identification | More | [Name]
3,4,5-Trifluorobenzoic acid | [CAS]
121602-93-5 | [Synonyms]
3,4,5-TRIFLUOROBENZOIC ACID
BUTTPARK 30\01-46
RARECHEM AL BO 0682
3-flurobenzenenitrile
3,4,5-Trifluorobenzoic
3,4,5-Trifluorobenzoic acid 98%
3,4,5-Trifluorobenzoicacid98% | [EINECS(EC#)]
624-063-4 | [Molecular Formula]
C7H3F3O2 | [MDL Number]
MFCD00074962 | [Molecular Weight]
176.09 | [MOL File]
121602-93-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
97-99 °C (lit.) | [Boiling point ]
116-118C/100Torr | [density ]
1,12g/cm | [refractive index ]
1,471-1,473 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.46±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
7476737 | [InChI]
InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) | [InChIKey]
VJMYKESYFHYUEQ-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=C(F)C(F)=C1 | [CAS DataBase Reference]
121602-93-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 3,4,5-trifluoro- (121602-93-5) |
| 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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [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]
3,4,5-Trifluorobenzoic acid may be used in chemical synthesis. | [Uses]
3,4,5-Trifluorobenzoic acid is an isomer of 2,3,6-Trifluorobenzoic acid (T790050), and both are deriatives of Benzoic acid (B203900). 3,4,5-Trifluorobenzoic acid is also part of a group of compounds that have potential inhibitory activity towards d-amino acid oxidases, deeming them capable of treating mental disorders such as schizophrenia. |
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