5-Cyanophthalide Structure

5-Cyanophthalide

Chemical Properties

Melting point 201-205 °C(lit.)
Boiling point 407.5±45.0 °C(Predicted)
Density  1.36±0.1 g/cm3(Predicted)
vapor pressure  0.012Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White to light yellow
InChI InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2
InChIKey XEEGWTLAFIZLSF-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=C(C#N)C=C2)CO1
LogP 0.136 at 30℃ and pH5.03
Dissociation constant 0-0 at 30℃
CAS DataBase Reference 82104-74-3(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H312-H332
Precautionary statements P280
Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  36/37-36-26
RIDADR  3439
WGK Germany  3
HS Code  29322090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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