Identification Chemical Properties Hazard Information Supplier

1078-38-2

Name (N)1-acetylisoniazid
CAS 1078-38-2
Molecular Formula C8H9N3O2
Molecular Weight 179.18
MOL File 1078-38-2.mol
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Chemical Properties

Melting point  158-159°C
Boiling point  311.69°C (rough estimate)
density  1.2896 (rough estimate)
refractive index  1.7400 (estimate)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKey CVBGNAKQQUWBQV-UHFFFAOYSA-N
SMILES C1=NC=CC(C(NNC(C)=O)=O)=C1

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