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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
Molecular Weight:
220.23
MDL Number:
MFCD00187787
MOL File:
38791-62-7.mol
MSDS File:
SDS
Last updated:2026-01-13 11:21:07
Product description Number Pack Size Price
4-Phenoxyphthalonitrile 98% 411930 1g $58
4-Phenoxyphthalonitrile 98% 411930 5g $313.6
4-Phenoxyphthalonitrile 019375 1g $425
4-Phenoxyphthalonitrile P301600 1g $140
4-PHENOXYPHTHALONITRILE 98.00% CHM0165644 1G $721.88
More product size

4-PHENOXYPHTHALONITRILE Properties

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
Major Application diagnostic assay manufacturing
hematology
histology
InChI 1S/C14H8N2O/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H
InChIKey CRZSSXUMRNESCC-UHFFFAOYSA-N
SMILES N#Cc1ccc(Oc2ccccc2)cc1C#N
UNSPSC Code 12171500
NACRES NA.47

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

4-PHENOXYPHTHALONITRILE price More Price(19)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 411930 4-Phenoxyphthalonitrile 98% 38791-62-7 1g $58 2026-03-19 Buy
Sigma-Aldrich 411930 4-Phenoxyphthalonitrile 98% 38791-62-7 5g $313.6 2026-03-19 Buy
Usbiological 019375 4-Phenoxyphthalonitrile 38791-62-7 1g $425 2021-12-16 Buy
TRC P301600 4-Phenoxyphthalonitrile 38791-62-7 1g $140 2021-12-16 Buy
American Custom Chemicals Corporation CHM0165644 4-PHENOXYPHTHALONITRILE 98.00% 38791-62-7 1G $721.88 2021-12-16 Buy
Product number Packaging Price Buy
411930 1g $58 Buy
411930 5g $313.6 Buy
019375 1g $425 Buy
P301600 1g $140 Buy
CHM0165644 1G $721.88 Buy

4-PHENOXYPHTHALONITRILE Chemical Properties,Uses,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

4-Nitrophthalonitrile

31643-49-9

Phenol

108-95-2

4-PHENOXYPHTHALONITRILE

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

31643-49-9
108-95-2
38791-62-7
Synthesis of 4-PHENOXYPHTHALONITRILE from 4-Nitrophthalonitrile and Phenol

4-PHENOXYPHTHALONITRILE Preparation Products And Raw materials

Global( 69)Suppliers
Supplier Tel Email Country ProdList Advantage
career henan chemical co
+86-0371-86658258 +8613203830695 sales@coreychem.com China 29830 58
Alchem Pharmtech,Inc.
8485655694 sales@alchempharmtech.com United States 63687 58
Coresyn Pharmatech Co., Ltd.
+86-571-86626709 +86-18157142896 cbc@coresyn.com China 9984 58
GIHI CHEMICALS CO.,LIMITED
+86-571-86217390; +8618058761490 info@gihichemicals.com China 49965 58
HANGZHOU LEAP CHEM CO., LTD.
+86-571-87711850 market18@leapchem.com China 43333 58
Henan Fengda Chemical Co., Ltd
+86-371-86557731 +86-13613820652 info@fdachem.com China 20125 58
Jilin Chinese Academy of Sciences-yanshen Technology
+undefined18143011203 info@chemextension.com China 42056 58
Shandong Liteng Biotechnology Co. , Ltd.
+86-18663721413 +86-15552573001 rosy@litengpharm.com China 3282 58
SHANGHAI KEAN TECHNOLOGY CO., LTD.
+8613817748580 cooperation@kean-chem.com China 40066 58
Chongqing Chemdad Co., Ltd
+86-023-6139-8061 +86-86-13650506873 sales@chemdad.com China 39927 58

View Lastest Price from 4-PHENOXYPHTHALONITRILE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-PHENOXYPHTHALONITRILE pictures 2019-07-06 4-PHENOXYPHTHALONITRILE
38791-62-7
US $1.00 / KG 1KG 98% 100KG Career Henan Chemical Co
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