81453-98-7

Name 3-Acetyl-1-(phenylsulfonyl)pyrrole
CAS 81453-98-7
Molecular Formula C12H11NO3S
MDL Number MFCD00067752
Molecular Weight 249.29
MOL File 81453-98-7.mol
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Chemical Properties

Appearance BEIGE CRYSTALLINE POWDER
Melting point  96-99 °C(lit.)
Boiling point  435.7±37.0 °C(Predicted)
density  1.3164 (rough estimate)
refractive index  1.6000 (estimate)
form  Solid
pka -11.54±0.70(Predicted)
InChI 1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey HTMLKRFQINMFRA-UHFFFAOYSA-N
SMILES CC(=O)c1ccn(c1)S(=O)(=O)c2ccccc2
CAS DataBase Reference 81453-98-7(CAS DataBase Reference)

Safety Data

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 .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HS Code  29350090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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