4-(CYANOMETHYL)BENZOIC ACID

Product Name: 4-(CYANOMETHYL)BENZOIC ACID
CAS No.: 50685-26-2
Chemical Name: 4-(CYANOMETHYL)BENZOIC ACID
Synonyms: NSC 113990;Benzoic acid,4-(cyanomethyl)-;4-(CyanoMethyl)benzoic acid 98%;4-(Cyanomethyl)benzoic acid, 95%;4-(Cyanomethyl)benzoic acid - [C72726];4-Carboxyphenylacetonitrile, 4-Carboxybenzyl cyanide
CBNumber: CB1511800
Molecular Formula: C9H7NO2
Formula Weight: 161.16
MOL File: 50685-26-2.mol

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4-(CYANOMETHYL)BENZOIC ACID Property

Boiling point:: 361.6±25.0 °C(Predicted)
Density: 1.257±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.04±0.10(Predicted)
form: crystalline solid
color: Off-white/faint yellow

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Safety

RIDADR: 2811
HazardClass: 6.1
PackingGroup: Ⅲ
HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: C990118
Product name: 4-(Cyanomethyl)benzoicacid
Packaging: 50mg
Price: $55
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4637-1-P1
Product name: 4-(Cyanomethyl)benzoic acid
Packaging: 1g
Price: $280
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4637-1-P1
Product name: 4-(Cyanomethyl)benzoic acid
Packaging: 100mg
Price: $55
Updated: 2021/12/16

Matrix Scientific

Product number: 082058
Product name: 4-(Cyanomethyl)benzoic acid
Purity: 97%
Packaging: 1g
Price: $405
Updated: 2021/12/16

AK Scientific

Product number: Y6260
Product name: 4-(Cyanomethyl)benzoicacid
Packaging: 5g
Price: $519
Updated: 2021/12/16

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4-(CYANOMETHYL)BENZOIC ACID Chemical Properties,Usage,Production

Synthesis

76469-88-0

50685-26-2

General procedure for the synthesis of 4-(cyanomethyl)benzoic acid from methyl 4-(cyanomethyl)benzoate: Methyl 4-(cyanomethyl)benzoate (25 g, 0.14 mol) was dissolved in 300 mL of methanol, followed by the addition of 160 mL of a 1N NaOH solution, and the reaction was carried out at reflux for 3 hours. Upon completion of the reaction, most of the solvent was evaporated under reduced pressure. To the residue, 500 mL of water was added and the pH was adjusted to 2-3 with concentrated hydrochloric acid.The precipitated solid was filtered, washed with water and dried to give 4-(cyanomethyl)benzoic acid (21.2 g, 92.2% yield) as a white solid. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 12.89 (brs, 1H), 7.87 (d, J=8.2 Hz, 2H), 7.37 (d, J=8.2 Hz, 2H), 3.45 (s, 2H); MS (EI): 161 [M]+.

References

[1] European Journal of Medicinal Chemistry, 2014, vol. 87, p. 765 - 781
[2] Patent: CN103724269, 2016, B. Location in patent: Paragraph 0610; 0611; 0626; 0627; 0628; 0629
[3] Patent: WO2011/69647, 2011, A1. Location in patent: Page/Page column 31
[4] Patent: EP2343287, 2011, A1. Location in patent: Page/Page column 21

4-(CYANOMETHYL)BENZOIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(CYANOMETHYL)BENZOIC ACID Suppliers

China 60 Europe 2 Germany 1 India 4 Switzerland 1 United Kingdom 3 United States 8 Global 79

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50685-26-2, 4-(CYANOMETHYL)BENZOIC ACIDRelated Search:

Methyl 4-(cyanomethyl)benzoate 4-Methylbenzyl cyanide 4-Ethylbenzoic acid methyl 4-[amino(cyano)methyl]benzoate 4-(CYANOMETHYL)BENZOIC ACID

Benzoic acid,4-(cyanomethyl)-

4-(CyanoMethyl)benzoic acid 98%

4-Carboxyphenylacetonitrile, 4-Carboxybenzyl cyanide

NSC 113990

4-(Cyanomethyl)benzoic acid, 95%

4-(Cyanomethyl)benzoic acid - [C72726]

50685-26-2

Phenyls & Phenyl-Het

Carboxylic Acids

Phenyls & Phenyl-Het

Carboxylic Acids