ChemicalBook--->CAS DataBase List--->82104-74-3

82104-74-3

82104-74-3 Structure

82104-74-3 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
[REACH Registrations]

Active
[HS Code ]

29322000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White to Pale Yellow Crystalline Solid
[Uses]

5-Cyanophthalide is a useful synthetic intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Cyanophthalide(82104-74-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Cyanophthalide, 98%(82104-74-3)
[Sigma Aldrich]

82104-74-3(sigmaaldrich)
[TCI AMERICA]

5-Cyanophthalide,>98.0%(T)(82104-74-3)
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