4-CYANOPHENYLACETONITRILE 97
- Product Name
- 4-CYANOPHENYLACETONITRILE 97
- CAS No.
- 876-31-3
- Chemical Name
- 4-CYANOPHENYLACETONITRILE 97
- Synonyms
- p-Cyanobenzylcyanide;4-Cyanobenzyl nitrile;alpha,4-Dicyanotoluene;alpha-Cyano-p-tolunitrile;4-Cyanophenylacetonitrile;p-Cyanophenylacetonitrile;4-Cyanobenzeneacetonitrile;p-Tolunitrile, alpha-cyano-;4-CYANOPHENYLACETONITRILE 97;Benzeneacetonitrile, 4-cyano-
- CBNumber
- CB2504542
- Molecular Formula
- C9H6N2
- Formula Weight
- 142.16
- MOL File
- 876-31-3.mol
4-CYANOPHENYLACETONITRILE 97 Property
- Melting point:
- 100-104 °C (lit.)
- Boiling point:
- 180-181℃
- Density
- 1.056
- Flash point:
- 71°(160°F)
- refractive index
- 1.499
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
N-Bromosuccinimide Price
- Product number
- 527815
- Product name
- 4-Cyanophenylacetonitrile
- Purity
- 97%
- Packaging
- 5G
- Price
- $288
- Updated
- 2025/07/31
- Product number
- C990110
- Product name
- 4-(Cyanomethyl)benzonitrile
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- C990110
- Product name
- 4-(Cyanomethyl)benzonitrile
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- JK625887
- Product name
- 4-Cyanophenylacetonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 4471BA
- Product name
- 4-Cyanophenylacetonitrile
- Packaging
- 5g
- Price
- $118
- Updated
- 2021/12/16
4-CYANOPHENYLACETONITRILE 97 Chemical Properties,Usage,Production
Uses
4-(Cyanomethyl)benzonitrile
Synthesis
773837-37-9
17201-43-3
876-31-3
The general procedure for the synthesis of 4-cyanophenylacetonitrile from the compound (CAS: 773837-37-9) and 4-cyanobenzyl bromide is as follows: 1. Synthesis of doubly radiolabeled C3-conjugate [14C/3H]-1: a) The reaction was carried out using Na14CN (0.33 eq.) and TBAB (0.17 eq.) in a solvent mixture of CH2Cl2/H2O (1:1, v/v) at room temperature overnight. b) Subsequently, 2M NaOH (2.8 eq.) was added, followed by the addition of concentrated HCl for neutralization. 2. Synthesis of 4-(Cyanomethyl)benzonitrile (10): a) Tetrabutylammonium bromide (14 mg, 0.043 mmol, 0.5 eq.) and sodium cyanide (4.2 mg, 0.085 mmol, 1 eq.) were added to a 4 mL vial. b) Dichloromethane (1.5 mL) and water (1.5 mL) were added followed by 4-(bromomethyl)benzonitrile (0.050 g, 0.26 mmol, 3 eq.). c) The reaction system was stirred vigorously at room temperature overnight. d) After completion of the reaction, the aqueous phase was separated from the organic layer, which was extracted twice with CH2Cl2. e) The organic layers were combined and the solvent was blown dry. f) The crude product was purified by passing through a silica gel column (Pasteur pipette), eluting with 70% EtOAc/hexane to give 4-(cyanomethyl)benzylnitrile (9.2 mg, 76%) as a colorless oil, which solidified to a white solid. Product characterization data were in agreement with the literature (Velcicky, J.; Soicke, A.; Steiner, R.; Schmalz, H.-G. J. Am. Chem. Soc. 2011, 133, 6948-6951). 1H NMR (CDCl3, 500 MHz) δ 7.70 (d, 2H, J = 8.5 Hz), 7.48 (d, 2H, J = 8.5 Hz), 3.84 (s, 2H); 13C NMR (CDCl3, 151 MHz) δ 135.3, 133.0, 128.9, 118.2, 116.6, 112.5, 23.9 ; HPLC purity: 91%, tR = 1.9 min (Method 1).
References
[1] Patent: WO2016/199111, 2016, A1. Location in patent: Paragraph 00123-00126
4-CYANOPHENYLACETONITRILE 97 Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-CYANOPHENYLACETONITRILE 97 manufacturers
- Product
- 4-(Cyanomethyl)benzonitrile 876-31-3
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98.5%
- Supply Ability
- 100 tons
- Release date
- 2022-02-18
- Product
- 4-CYANOPHENYLACETONITRILE 97 876-31-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 25kg
- Release date
- 2019-07-12