1-(P-TOLUENESULFONYL)PYRROLE-2-ALDEHYDE

Chemical Properties

Melting point	95°C
Boiling point	442.6±47.0 °C(Predicted)
Density	1.26±0.1 g/cm3(Predicted)
storage temp.	-20°C, sealed storage, away from moisture
form	powder to crystal
pka	-12.42±0.70(Predicted)
color	White to Yellow to Orange
InChI	InChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-9H,1H3
InChIKey	PJJJROQSNDRWIU-UHFFFAOYSA-N
SMILES	N1(S(C2=CC=C(C)C=C2)(=O)=O)C=CC=C1C=O
CAS DataBase Reference	102619-05-6

HS Code

2933.99.8290

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