| Identification | More | [Name]
5-Cyanophthalide | [CAS]
82104-74-3 | [Synonyms]
1,3-DIHYDRO-1-OXO-5-ISOBENZOFURANCARBONITRILE
1,3-DIHYDRO-1-OXOISOBENZOFURAN-5-CARBONITRILE
1-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-CARBONITRILE
5-CYANO-3H-ISOBENZOFURANONE
5-CYANOPHTHALIDE
5-Phthalidenitrile
5-CYANO-PHTHALIDE/1-(4-FLUOROPHENYL)-1,3-DIHYROSOBENZOFURAN-5-CARBONITRILE
5-Cyanophthaleine
1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 5-Cyano-3H-isobenzofuranone | [EINECS(EC#)]
279-900-2 | [Molecular Formula]
C9H5NO2 | [MDL Number]
MFCD01072882 | [Molecular Weight]
159.14 | [MOL File]
82104-74-3.mol |
| Chemical Properties | Back Directory | [Appearance]
White to Pale Yellow Crystalline Solid | [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 | [Usage]
A useful synthetic intermediate | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3439 | [WGK Germany ]
3
| [HS Code ]
29322000 |
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