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3-Methylbenzoylacetonitrile Structure

3-Methylbenzoylacetonitrile

Chemical Properties

Melting point 73 °C
Boiling point 318.6±25.0 °C(Predicted)
Density  1.081±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  solid
pka 7.84±0.10(Predicted)
Appearance White to light yellow Solid
BRN  2717335
InChI 1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3
InChIKey IVLKDYOTZMFMLO-UHFFFAOYSA-N
SMILES N#CCC(C1=CC=CC(C)=C1)=O
CAS DataBase Reference 53882-81-8(CAS DataBase Reference)
NIST Chemistry Reference 3-Toluoylacetonitrile(53882-81-8)
UNSPSC Code 12352200
NACRES NA.21

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38-22
Safety Statements  26-36/37/39
RIDADR  3439
WGK Germany  WGK 3
HazardClass  6.1
PackingGroup  III
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
1
2 0

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