86688-96-2

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86688-96-2 Structure

Identification	Back Directory
[Name] (PYRROL-3-YL)-ACETIC ACID
[CAS] 86688-96-2
[Synonyms] 1H-Pyrrole-3-acetic acid (PYRROL-3-YL)-ACETIC ACID 1H-Pyrrole-3-aceticacid(9CI) (1H-Pyrrol-3-yl)-acetic acid 2-(1H-Pyrrol-3-yl)acetic acid
[Molecular Formula] C6H7NO2
[MDL Number] MFCD09800534
[MOL File] 86688-96-2.mol
[Molecular Weight] 125.13

Chemical Properties	Back Directory
[Melting point ] 90-91 °C
[Boiling point ] 312.3±17.0 °C(Predicted)
[density ] 1.314±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] solid
[pka] 4.42±0.10(Predicted)
[InChI] 1S/C6H7NO2/c8-6(9)3-5-1-2-7-4-5/h1-2,4,7H,3H2,(H,8,9)
[InChIKey] LAZKLUQBPMKCFN-UHFFFAOYSA-N
[SMILES] OC(CC1=CNC=C1)=O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H332-H335
[Precautionary statements ] P261-P280-P305+P351+P338
[WGK Germany ] WGK 3
[HS Code ] 2933998090
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral

Spectrum Detail	Back Directory
[Spectrum Detail] (PYRROL-3-YL)-ACETIC ACID (86688-96-2)¹HNMR

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