6-Nitropiperonal Structure

6-Nitropiperonal

Chemical Properties

Melting point 93-94 °C (lit.)
Boiling point 331.78°C (rough estimate)
Density  1.5671 (rough estimate)
refractive index  1.5282 (estimate)
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  DMSO (Slightly), Ethanol (Slightly, Heated)
form  Fine Crystalline Powder
color  Yellow
Sensitive  Air & Light Sensitive
BRN  384010
InChI InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2
InChIKey NRZWECORTTWSEF-UHFFFAOYSA-N
SMILES O1C2=CC([N+]([O-])=O)=C(C=O)C=C2OC1
CAS DataBase Reference 712-97-0(CAS DataBase Reference)
EWG's Food Scores 1
Comptox DTXSID DTXSID50221400
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P271-P280
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26-37
WGK Germany  3
RTECS  DF4912750
HS Code  29329990
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 1

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