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121602-93-5

121602-93-5 Structure

121602-93-5 Structure
IdentificationMore
[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 PropertiesBack 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 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 .
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 InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4,5-Trifluorobenzoic acid(121602-93-5)1HNMR
3,4,5-Trifluorobenzoic acid(121602-93-5)Raman
3,4,5-Trifluorobenzoic acid(121602-93-5)FT-IR
3,4,5-Trifluorobenzoic acid(121602-93-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4,5-Trifluorobenzoic acid, 98%(121602-93-5)
[Alfa Aesar]

3,4,5-Trifluorobenzoic acid, 97%(121602-93-5)
[Sigma Aldrich]

121602-93-5(sigmaaldrich)
[TCI AMERICA]

3,4,5-Trifluorobenzoic Acid,>98.0%(T)(121602-93-5)
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