CAS 82104-74-3

5-Cyanophthalide

Description:

5-Cyanophthalide, with the CAS number 82104-74-3, is an organic compound that belongs to the class of phthalides, which are characterized by a fused aromatic ring system containing a lactone. This compound features a cyano group (-CN) at the 5-position of the phthalide structure, which can influence its reactivity and properties. Typically, phthalides exhibit a range of applications in organic synthesis, pharmaceuticals, and as intermediates in the production of various chemical compounds. The presence of the cyano group can enhance the compound's polarity and solubility in polar solvents, while also providing sites for further chemical modifications. In terms of physical properties, phthalides generally have moderate melting and boiling points, and their stability can vary depending on the substituents present. Safety data should be consulted for handling and storage, as compounds with cyano groups can be toxic and require appropriate precautions. Overall, 5-Cyanophthalide is a versatile compound with potential applications in various fields of chemistry.

Formula: C₉H₅NO₂

InChI: InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

InChI key: InChIKey=XEEGWTLAFIZLSF-UHFFFAOYSA-N

SMILES: O=C1C=2C(=CC(C#N)=CC2)CO1

Synonyms:

• 1,3-Dihydro-1-Oxo-5-Isobenzofurancarbonitrile
• 1,3-Dihydro-1-Oxoisobenzofuran-5-Carbonitrile
• 1-Oxo-1,3-Dihydro-2-Benzofuran-5-Carbonitrile
• 1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile
• 1-Oxo-3H-2-benzofuran-5-carbonitrile
• 5-Cyano-3h-Isobenzofuranone
• 5-Cyano-Phthalide
• 5-Cyanophthaleine
• 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-
• 5-Phthalidenitrile
• 5-Cyanophthalide

5-Cyanophthalide

CAS: 82104-74-3

Formula: C₉H₅NO₂

Purity: >98.0%(HPLC)(N)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 159.14

Ref: 3B-C2001

1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile

CAS: 82104-74-3

Formula: C₉H₅NO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 159.1415

Ref: IN-DA005AAM

5-Cyanophthalide

CAS: 82104-74-3

5-Cyanophthalide

Purity: 98%

Molecular weight: 159.14g/mol

Ref: 54-OR315729

5-Cyanophthalide

CAS: 82104-74-3

Ref: 7W-GK7260

Citalopram Impurity 18

CAS: 82104-74-3

Formula: C₉H₅NO

Molecular weight: 159.14

Ref: 4Z-C-0941

5-Cyanophthalide

Controlled Product

CAS: 82104-74-3

Formula: C₉H₅NO₂

Color and Shape: Neat

Molecular weight: 159.14

Ref: 86-MM0242.23

5-Cyanophthalide

Controlled Product

CAS: 82104-74-3

Applications A useful synthetic intermediate.

Formula: C₉H₅NO₂

Color and Shape: Neat

Molecular weight: 159.14

Ref: TR-C982075

1-Oxo-1,3-dihydroisobenzofuran-5-carbonitrile

CAS: 82104-74-3

Formula: C₉H₅NO₂

Purity: 95%

Color and Shape: Solid, White to very pale yellow powder

Molecular weight: 159.144

Ref: 10-F209246

5-Cyanophthalide

CAS: 82104-74-3

5-Cyanophthalide is an inorganic acid that is a white solid. It has a molecular weight of 114.07 g/mol and a melting point of -43 degrees Celsius. 5-Cyanophthalide can be synthesized by reacting 5-carboxyphthalide with chlorine gas in the presence of an inert solvent and heat. The product is then purified by crystallization or recrystallization. The biological properties of 5-cyanophthalide are unknown, but it has been shown to have amide and chloride groups on either side of the molecule's carbon backbone. Mass spectrometry reveals that this compound exists as an enantiomer, meaning that it exists as two mirror images that are not superimposable on each other. This means there are two different forms: one left-handed and one right-handed form.

Formula: C₉H₅NO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 159.14 g/mol

Ref: 3D-FC20660