27613-27-0

Basic information

• Product Name: 3-Cyanophthalide
• Synonyms: 3-Cyanophthalide
• CAS NO: 27613-27-0
• Molecular Formula: C₉H₅NO₂
• Molecular Weight: 159.1415
• Mol File: 27613-27-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 120-121 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
• Boiling Point: 394.1±42.0 °C(Predicted)
• Appearance: /
• Density: 1.34±0.1 g/cm3(Predicted)
• BRN: 4292885
• CAS DataBase Reference: 3-Cyanophthalide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyanophthalide(27613-27-0)
• EPA Substance Registry System: 3-Cyanophthalide(27613-27-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 27613-27-0(Hazardous Substances Data)

Upstream product

• 94930-53-7 2-(Cyano-hydroxy-methyl)-benzoic acid 
• 87-41-2 2-benzofuran-1(3H)-one 
• 143-33-9 sodium cyanide 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 151-50-8 potassium cyanide 
• 119-67-5 o-carboxybenzaldehyde 
• 4122-56-9 methyl o-formylbenzoate 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 25952-53-8 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride 
• 77420-44-1 2-formyl-N,N-diethyl-1-benzamide 
• 1696-17-9 N,N-diethylbenzamide 
• 113232-67-0 2-(Cyano-trimethylsilanyloxy-methyl)-N,N-diethyl-benzamide 

Downstream Products

• 82-39-3 1-methoxyanthracene-9,10-dione 
• 1989-42-0 1,3-dimethoxy-9,10-anthraquinone 
• 2498-66-0 benz[a]anthracene-7,12-dione 
• 63216-11-5 3-methoxybenzanthracene-7,12-dione 
• 6119-74-0 1,4-dimethoxyanthraquinone 
• 6409-75-2 1-benzamido-4-methoxy-9,10-anthraquinone 
• 1169-61-5 2-benzoyl-1,4-dihydroxy-3-phenylnaphthalene 
• 28736-42-7 1,4-difluoroanthracene-9,10-dione 
• 81-64-1 1,4-dihydroxy-9,10-anthracenedione 
• 1021499-85-3 6-hydroxy-benzo[h]chromeno[5,4,3-cde]chromene-5,12-dione 

Relevant articles and documents

Synthesis, Rearrangement, and Hauser Annulation of 3-Isocyanophthalides

3-Isocyanoisobenzofuran-1(3H)-ones (phthalides) were prepared in two steps from the corresponding phthalaldehydic acids. The 3-isocyanoisobenzofuran-1(3H)-ones are readily rearranged to the corresponding 3-cyanoisobenzofuran-1(3H)-ones using triflic anhyd

ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR

Enediyne compounds having a structure according to formula (I), where R0, R2, R3, R4, R5, R6, and R7 are defined herein, can be used in chemotherapeutic drugs, especially in conjugates, for the treatment of diseases such as cancer.

Efficient synthesis of 4,4-dimethyl-1,9,10(1H)-anthracenetrione

A concise route to the title compound was achieved via annulation of 4,4-dimethylcyclohexenone with 3-cyanophthalide, followed by oxidation with DDQ.