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4-PHENOXYPHTHALONITRILE

Product Name
4-PHENOXYPHTHALONITRILE
CAS No.
38791-62-7
Chemical Name
4-PHENOXYPHTHALONITRILE
Synonyms
ROXA-013;NSC 646245;4-PHENOXYPHTHALONITRILE;4-phenoxybenzene-1,2-dinitrile;4-Phenoxy-1,2-benzenedicarbonitrile;RSYY(Cyclobenzaprine hydrochloride)-5;1,2-Benzenedicarbonitrile, 4-phenoxy-
CBNumber
CB4770941
Molecular Formula
C14H8N2O
Formula Weight
220.23
MOL File
38791-62-7.mol
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4-PHENOXYPHTHALONITRILE Property

Melting point:
98-100 °C(lit.)
Boiling point:
399.8±37.0 °C(Predicted)
Density 
1.24±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
powder, crystals or chunks
Appearance
Off-white to yellow Solid
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Safety

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-36
WGK Germany 
3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
411930
Product name
4-Phenoxyphthalonitrile
Purity
98%
Packaging
1g
Price
$105.23
Updated
2025/07/31
Sigma-Aldrich
Product number
411930
Product name
4-Phenoxyphthalonitrile
Purity
98%
Packaging
5g
Price
$399.9
Updated
2025/07/31
TRC
Product number
P301600
Product name
4-Phenoxyphthalonitrile
Packaging
1g
Price
$140
Updated
2021/12/16
Usbiological
Product number
019375
Product name
4-Phenoxyphthalonitrile
Packaging
1g
Price
$425
Updated
2021/12/16
Chem-Impex
Product number
41873
Product name
4-Phenoxyphthalonitrile,≥97.5%(GC),suitableforHematology&Histology
Purity
≥97.5%(GC)
Packaging
1G
Price
$85.03
Updated
2021/12/16
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4-PHENOXYPHTHALONITRILE Chemical Properties,Usage,Production

Uses

4-Phenoxyphthalonitrile is a C4-substituted phthalonitrile with monoamine oxidase inhibitory activity. 4-Phenoxyphthalonitrile is used in organic pigments and dyes. Dyes and metabolites.

Synthesis

31643-49-9

108-95-2

38791-62-7

General procedure for the synthesis of 4-phenoxyphthalonitrile from 4-nitrophthalonitrile and phenol: To a solution of tetrahydrofuran (THF, 15 mL) containing sodium hydride (NaH, 0.15 g) and phenol (0.353 g, 0.0375 mol), slowly add 4-nitrophthalonitrile (0.50 g, 0.0028 mol) to the THF (15 mL ) solution. The reaction mixture was heated to reflux for 8 hours. Upon completion of the reaction, 1,2-diisocyano-4-phenoxybenzene (8) was obtained by filtration and the solid was washed with ethyl acetate. The filtrate and washings were combined and the solvent was removed by evaporation under reduced pressure. The white precipitate obtained was purified by fast column chromatography using ethyl acetate: hexane (1:4) as eluent. The yield was 0.737 g in 86.4% with an Rf value of 0.36 (ethyl acetate: hexane, 1:4).1H NMR (300 MHz, CDCl3) δ 0.90 (s, 2H), 3.46 (m, 5H, CH), 7.07 (m, 3H, ArH).13C NMR (300 MHz, CDCl3) δ 71.01, 117.45, 119.69, 119.92, 126.95, 127.34, 134.43, 135.20.

References

[1] Asian Journal of Chemistry, 2017, vol. 29, # 3, p. 489 - 495
[2] Russian Journal of Organic Chemistry, 2006, vol. 42, # 4, p. 603 - 606
[3] Journal of Photochemistry and Photobiology A: Chemistry, 2010, vol. 209, # 2-3, p. 232 - 237
[4] Bioorganic Chemistry, 2012, vol. 40, # 1, p. 114 - 124
[5] Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 6.2, p. 964 - 967

4-PHENOXYPHTHALONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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4-PHENOXYPHTHALONITRILE Suppliers

Alchem Pharmtech,Inc.
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View Lastest Price from 4-PHENOXYPHTHALONITRILE manufacturers

Career Henan Chemical Co
Product
4-PHENOXYPHTHALONITRILE 38791-62-7
Price
US $1.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
100KG
Release date
2018-08-20

38791-62-7, 4-PHENOXYPHTHALONITRILERelated Search:


  • 4-PHENOXYPHTHALONITRILE
  • 4-Phenoxy-1,2-benzenedicarbonitrile
  • NSC 646245
  • 4-phenoxybenzene-1,2-dinitrile
  • ROXA-013
  • 1,2-Benzenedicarbonitrile, 4-phenoxy-
  • RSYY(Cyclobenzaprine hydrochloride)-5
  • 38791-62-7
  • C14H8ON2
  • C6H5OC6H312CN2
  • P
  • Stains and Dyes
  • Stains&Dyes, A to