1314400-72-0

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1314400-72-0 Structure

Identification	Back Directory
[Name] 5-Trifluoromethyl-1H-Pyrrole-2-Carboxylic Acid
[CAS] 1314400-72-0
[Synonyms] 5-Trifluoromethyl-1H-Pyrrole-2-Carboxylic Acid 1H-Pyrrole-2-carboxylic acid, 5-(trifluoromethyl)- 5-Trifluoromethyl-1H-Pyrrole-2-Carboxylic Acid(WXFS0401)
[Molecular Formula] C6H4F3NO2
[MDL Number] MFCD07375476
[MOL File] 1314400-72-0.mol
[Molecular Weight] 179.1

Chemical Properties	Back Directory
[Boiling point ] 305.1±42.0 °C(Predicted)
[density ] 1.573±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C(protect from light)
[pka] 3.63±0.10(Predicted)
[InChI] InChI=1S/C6H4F3NO2/c7-6(8,9)4-2-1-3(10-4)5(11)12/h1-2,10H,(H,11,12)
[InChIKey] WYSJKCJUZUYPGO-UHFFFAOYSA-N
[SMILES] N1C(C(F)(F)F)=CC=C1C(O)=O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H335-H319-H302-H315
[Precautionary statements ] P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Spectrum Detail	Back Directory
[Spectrum Detail] 5-Trifluoromethyl-1H-Pyrrole-2-Carboxylic Acid(1314400-72-0)¹HNMR

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