5-Cyanophthalide , 97% , 82104-74-3

Synonym(s):
1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile;5-Cyano-3H-isobenzofuranone

CAS NO.：82104-74-3

Empirical Formula: C9H5NO2

Molecular Weight: 159.14

MDL number: MFCD01072882

EINECS: 279-900-2

PRODUCT 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)

Description and Uses

5-Cyanophthalide is a useful synthetic intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• 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