50685-26-2

Basic information

• Product Name: 4-(CYANOMETHYL)BENZOIC ACID
• Synonyms: Benzoic acid,4-(cyanomethyl)-;4-(CyanoMethyl)benzoic acid 98%;4-Carboxyphenylacetonitrile, 4-Carboxybenzyl cyanide;NSC 113990
• CAS NO: 50685-26-2
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het
• Mol File: 50685-26-2.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 361.6 °C at 760 mmHg
• Flash Point: 172.5 °C
• Appearance: /
• Density: 1.257 g/cm³
• Vapor Pressure: 7.34E-06mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.04±0.10(Predicted)
• CAS DataBase Reference: 4-(CYANOMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(CYANOMETHYL)BENZOIC ACID(50685-26-2)
• EPA Substance Registry System: 4-(CYANOMETHYL)BENZOIC ACID(50685-26-2)

Safety Data

• RIDADR: 2811
• HazardClass: 6.1
• PackingGroup: Ⅲ
• Hazardous Substances Data: 50685-26-2(Hazardous Substances Data)

Usage

General Description

4-(cyanomethyl)benzoic acid is a chemical compound with the molecular formula C9H7NO2. It is a white crystalline solid that is slightly soluble in water and most organic solvents. 4-(CYANOMETHYL)BENZOIC ACID is commonly used as an intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds. It is also used as a building block for the production of various industrial chemicals. 4-(cyanomethyl)benzoic acid is an important compound in the field of organic chemistry and is widely used in research and development.

InChI:InChI=1/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)

Upstream product

• 6232-88-8 4-bromomethylbenzoic Acid 
• 143-33-9 sodium cyanide 
• 905966-41-8 2-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)acetonitrile 
• 124-38-9 carbon dioxide 
• 51628-12-7 4-iodophenylacetonitrile 
• 76469-88-0 methyl 4-(cyanomethyl)benzoate 
• 1642-81-5 p-(chloromethyl)benzoic acid 
• 83901-88-6 4-cyanomethylbenzoic acid ethyl ester 
• 99-94-5 p-Toluic acid 
• 151-50-8 potassium cyanide 
• 64-17-5 ethanol 
• 876-31-3 4-(cyanomethyl)benzonitrile 

Downstream Products

• 1256639-83-4 5-cyanophenylcarboxyvinylidene-5-(N,N-di-p-tolylamino)-2,2':5',2-terthiophene 
• 1311285-32-1 {4-[5-(butylamino)-1,3,4-thiadiazol-2-yl]phenyl}acetonitrile 
• 1359943-42-2 4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)benzoic acid 
• 503040-41-3 4-(N-Hydroxycarbamimidoylmethyl)-benzoic Acid 
• 503040-14-0 4-Thiocarbamoylmethyl-benzoic Acid 
• 52334-43-7 2-(4-cyanomethylphenyl)oxazolo[5,4-b]pyridine 
• 89605-59-4 (+/-)-4-[(1-(2-Piperidino-phenyl)-1-butyl)-aminocarbonylmethyl]-benzoic acid 
• 915020-91-6 4-(1-cyanocyclopropyl)benzoic acid 
• 144825-18-3 4-cyanomethylbenzyl alcohol 
• 669002-96-4 [4-(4-methyl-piperazine-1-carbonyl)-phenyl]-acetonitrile 
• 80589-87-3 {4-[4-(3,4-Dimethoxy-phenyl)-5-ethoxy-oxazol-2-yl]-phenyl}-acetic acid methyl ester 
• 80589-77-1 {4-[4-(3,4-Dimethoxy-phenyl)-5-ethoxy-oxazol-2-yl]-phenyl}-acetic acid 
• 80589-57-7 (4-Cyanomethyl-benzoylamino)-(3,4-dimethoxy-phenyl)-acetic acid ethyl ester 
• 80589-85-1 {4-[4-(3,4-Dichloro-phenyl)-5-ethoxy-oxazol-2-yl]-phenyl}-acetic acid methyl ester 

Relevant articles and documents

Constructing, deconstructing, and reconstructing ternary supermolecules

A hypothesis-driven protocol comprising precise and predictable molecular recognition events based upon an electrostatic view of competing hydrogen-bond interactions is proposed and subsequently employed in the construction of ternary co-crystals. The Royal Society of Chemistry.

Nickel-catalyzed carboxylation of aryl iodides with lithium formate through catalytic CO recycling

A protocol for the Ni-catalyzed carboxylation of aryl iodides with formate has been developed with good functional group compatibility for the synthesis of a variety of aromatic carboxylic acids under mild conditions. The reaction tolerates other functionalities for cross-coupling, such as aryl bromide, aryl chloride, aryl tosylate, and aryl pinacol boronate. The reaction proceeds through a carbonylation process with in situ generated carbon monoxide in the presence of a catalytic amount of acetic anhydride and lithium formate, avoiding the use of gaseous CO. The strategy of CO recycling in catalytic amounts is critical for the success of the reaction.

Phenyl 1, 2 - isoxazole or phenyl 1, 2 - pyrazole compound and use thereof (by machine translation)

The invention discloses the following formula of phenyl 1, 2 - different oxazole or 1, 2 - pyrazole compounds with use. Through the biological activity tests show that, the compound inhibiting heat shock protein 90 activity. Therefore, the invention phenyl 1, 2 - different oxazole or 1, 2 - pyrazole compounds can be used as a heat shock protein 90 inhibitor for the treatment of cancer. (by machine translation)