3-Acetylpyrrole Structure

3-Acetylpyrrole

Chemical Properties

Melting point 115-117°C
Boiling point 220 C
Density  1.099±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 15.37±0.50(Predicted)
color  Light Brown
BRN  107151
Stability Light Sensitive
InChI InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
InChIKey KHHSXHXUQVNBGA-UHFFFAOYSA-N
SMILES C(=O)(C1C=CNC=1)C
CAS DataBase Reference 1072-82-8(CAS DataBase Reference)
Comptox DTXSID DTXSID90372248
UNSPSC Code 12352200
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P280-P301+P312-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-36-22
Safety Statements  26-36/37/39-36
WGK Germany  WGK 3
Hazard Note  Irritant
HS Code  2933998090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
NFPA 704:
1
0 0

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