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Cas Database

91-15-6

91-15-6

Identification

  • Product Name:Phthalonitrile

  • CAS Number: 91-15-6

  • EINECS:202-044-8

  • Molecular Weight:128.133

  • Molecular Formula: C8H4N2

  • HS Code:29269095

  • Mol File:91-15-6.mol

Synonyms:Phthalonitrile(8CI);1,2-Benzodinitrile;1,2-Bis(cyano)benzene;1,2-Dicyanobenzene;NSC17562;o-Benzenedicarbonitrile;o-Benzenedinitrile;o-Cyanobenzonitrile;o-Dicyanobenzene;

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Safety information and MSDS view more

  • Pictogram(s):ToxicT

  • Hazard Codes:T

  • Signal Word:Danger

  • Hazard Statement:H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaledH412 Harmful to aquatic life with long lasting effects

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled Fresh air, rest. Refer for medical attention. In case of skin contact Rinse skin with plenty of water or shower. In case of eye contact First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. If swallowed Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Give a slurry of activated charcoal in water to drink. Refer for medical attention . Minimum/Potential Fatal Human Dose4(?). 4= VERY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 50-500 MG/KG, BETWEEN 1 TEASPOON & 1 OZ FOR 70 KG PERSON (150 LB).

  • Fire-fighting measures: Suitable extinguishing media Use dry powder, carbon dioxide, foam. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder. Then store and dispose of according to local regulations. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Separated from strong oxidants and food and feedstuffs.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
  • Product Description
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  • Price
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  • Manufacture/Brand:Usbiological
  • Product Description:1,2-Dicyanobenzene
  • Packaging:10g
  • Price:$ 305
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:1,2-Dicyanobenzene
  • Packaging:25g
  • Price:$ 55
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:1,2-Dicyanobenzene
  • Packaging:50g
  • Price:$ 70
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  • Manufacture/Brand:TCI Chemical
  • Product Description:Phthalonitrile >99.0%(GC)
  • Packaging:500g
  • Price:$ 112
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  • Manufacture/Brand:TCI Chemical
  • Product Description:Phthalonitrile >99.0%(GC)
  • Packaging:25g
  • Price:$ 14
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  • Manufacture/Brand:TCI Chemical
  • Product Description:Phthalonitrile >99.0%(GC)
  • Packaging:100g
  • Price:$ 25
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:Phthalonitrile for synthesis. CAS 91-15-6, EC Number 202-044-8, chemical formula C H -1,2-(CN) ., for synthesis
  • Packaging:8005930100
  • Price:$ 28.9
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:Phthalonitrile for synthesis
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1,2-Dicyanobenzene 98%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1,2-Dicyanobenzene 98%
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Relevant articles and documentsAll total 78 Articles be found

Polyfunctionalized Cage Compounds by Pericyclic Domino Processes of 4,5-Dicyanopyridazine with Dienes: Applications and Limits

Giomi, Donatella,Nesi, Rodolfo,Turchi, Stefania,Mura, Elena

, p. 360 - 364 (2000)

The title compound 1 was found to behave as an attractive masked bis-diene to give 4-oxatricyclo-[4.3.1.03,7]dec-8-ene, 5-aza- and 5-silatricyclo[5.3.1.03,8]undec-9-ene, tricyclo[3.2.1.02,7]oct-3-ene, and tricyclo[5.3.1.03,8]undec-9-ene derivatives through purely pericyclic, three-step homodomino processes with diverse bis-dienophiles; whereas the reaction with myrcene (21) was characterized by a complete sitoselectivity affording compound 25, treatment of 1 with (R)-(-)-β-citronellene (26a) gave a 3:1 mixture of the homochiral diastereomers 30a and 31a. Some limits of this methodology, mainly arising from competitive side reactions upon the key cyclohexa-1,3-diene intermediates, are emphasized. The structures of the new compounds were established on the basis of spectral data.

Switchable activity of a Ru catalyst bearing an annulated mesoionic carbene ligand for oxidation of primary amines

Bera, Jitendra K.,Din Reshi, Noor U,Pal, Nilay Kumar,Pal, Saikat,Pal, Sourav,Yadav, Suman

, (2022/01/31)

The catalytic activity of a Ru complex 1, bearing a fused π-conjugated imidazo[1,2–a][1,8]naphthyridine-based mesoionic carbene (MIC) ligand, is examined for the oxidation of primary amines. Complex 1 affords nitrile or imine depending on the nature of th

An overview on the progress and development on the palladium catalyzed direct cyanation

Heydari, Somayyeh,Habibi, Davood,Reza Faraji, Ali,keypour, Hassan,Mahmoudabadi, Masoumeh

, (2020/10/02)

Generation of the positive CN ion and the corresponding direct cyanation are both extremely important for cyanation of aromatic compounds. Hereby, we would like to report the simultaneous use of the new Pd nano-catalyst as well as the three types of the N-arylsulfonyl cyanamides (A, B and C) as potent reagents for the in situ generation of the positive CN ion for the direct cyanation of phenylboronic acids in acetonitrile at reflux conditions.

A Versatile VMPO Catalyst Prepared In Situ for Oxidative Ammonolysis of Isomeric Picolines and Xylenes

Dutta, P.,Pathak, D. D.,Senapati, Rabinarayan

, p. 292 - 298 (2020/04/17)

Abstract: The V2O5–MoO3–P2O5 (VMPO) catalyst has been prepared in situ by thermal decomposition of vanado-molybdophosphoric acid (PMoV) on TiO2 support at 475°C. The TiO2 supported VMPO catalysts are characterized by FT–IR, XRD, BET surface area, NH3–TPD, and H2–TPR. Morphology of the catalyst has been studied by TEM. The accumulated data indicate decomposition of PMoV and presence of phosphate and pyrophosphate phases of molybdenum and vanadium after calcination. TPD and TPR studies exhibit the moderate acidity and presence of V4+ in the material, respectively. The VMPO catalyst has been used for ammoxidation of six different compounds including three isomeric picolines and three isomeric xylenes to the corresponding nitriles with the yield of 90–96%.

Process route upstream and downstream products

Process route

propiolonitrile
1070-71-9

propiolonitrile

terephthalonitrile
623-26-7

terephthalonitrile

2-cyano-1,4-benzenedicarbonitrile
10347-14-5

2-cyano-1,4-benzenedicarbonitrile

benzene-1,2,3-tricarbonitrile
38700-18-4

benzene-1,2,3-tricarbonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
In benzene; at 160 ℃; for 22h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
In benzene; at 160 ℃; for 22h; Product distribution; Mechanism; other solvents; other temperatures, pressures and times; other product;
C<sub>16</sub>H<sub>10</sub>N<sub>2</sub>
101055-49-6

C16H10N2

phenylacetylene
536-74-3

phenylacetylene

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
In benzene; at 130 ℃; for 1h; fragmentation;
ethanedinitrile
460-19-5,25215-76-3

ethanedinitrile

benzene-1,3-dicarbonitrile
626-17-5

benzene-1,3-dicarbonitrile

terephthalonitrile
623-26-7

terephthalonitrile

hydrogen cyanide
74-90-8

hydrogen cyanide

benzonitrile
100-47-0

benzonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
Product distribution; plasma apparatus; a variety of substituted benzenes and pyridine similarly cyanated;
1.9 % Chromat.
2.8 % Chromat.
1.7 % Chromat.
94 % Chromat.
o-xylene
95-47-6

o-xylene

ortho-methylbenzoic acid
118-90-1

ortho-methylbenzoic acid

2-Methylbenzonitrile
529-19-1

2-Methylbenzonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
o-xylene; With ruthenium(II) chloride; C88H48Cl8Fe2N8O; at 185 ℃; under 10501.1 Torr; Large scale;
With ammonia; at 246 ℃; Reagent/catalyst; Temperature; Pressure; Large scale;
61.7%
9.5%
19.2%
o-xylene
95-47-6

o-xylene

2-Methylbenzonitrile
529-19-1

2-Methylbenzonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
vanadia; zirconium(IV) oxide; at 339.85 ℃; Kinetics;
With nitrogen trifluoride; at 385 - 425 ℃; under 760.051 Torr; Inert atmosphere;
o-xylene
95-47-6

o-xylene

2-Methylbenzonitrile
529-19-1

2-Methylbenzonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
With ammonia; vanadia; zirconium(IV) oxide; at 380 ℃; Further Variations:; Catalysts; Temperatures; Product distribution;
2-Methylbenzonitrile
529-19-1

2-Methylbenzonitrile

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
PHTHALAZINE
253-52-1

PHTHALAZINE

2-benzofuran-1(3H)-one
87-41-2

2-benzofuran-1(3H)-one

phthalazone
119-39-1

phthalazone

phthalonitrile
91-15-6

phthalonitrile

o-phthalic dicarboxaldehyde
643-79-8

o-phthalic dicarboxaldehyde

Conditions
Conditions Yield
With dihydrogen peroxide; sodium oxalate; iron(II) sulfate; Further Variations:; Reagents; Kinetics; Photolysis;
[2-(dihydroxyboranyl)phenyl]boronic acid
13506-83-7

[2-(dihydroxyboranyl)phenyl]boronic acid

N-(4-chlorophenyl)-N-cyano-4-methylbenzenesulfonamide
119986-58-2

N-(4-chlorophenyl)-N-cyano-4-methylbenzenesulfonamide

4-methyl-N-(4-chlorophenyl)benzenesulfonamide
2903-34-6

4-methyl-N-(4-chlorophenyl)benzenesulfonamide

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
With Fe3O4/SiO2/(3-chloropropyl)trimethoxysilane/2,2′-(4,4′-(propane-1,3-diyl)bis(piperazine-4,1-diyl))- diethanamine/Pd; In acetonitrile; for 16h; Catalytic behavior; Reflux;
88%
o-phthalic dicarboxaldehyde
643-79-8

o-phthalic dicarboxaldehyde

phthalonitrile
91-15-6

phthalonitrile

Conditions
Conditions Yield
With ammonium hydroxide; sodium persulfate; sodium iodide; iron(II) chloride; In 1,2-dichloro-ethane; at 20 - 50 ℃; for 16h;
89%
With O-(diphenylphosphinyl)hydroxylamine; In toluene; at 20 - 85 ℃; chemoselective reaction;
78%
With formic acid; hydroxylamine hydrochloride; silica gel; for 0.0333333h; Irradiation;
72 % Chromat.
With K2Co4[WZn3(H2O)2][ZnW9O34]2*53H2O; ammonia; dihydrogen peroxide; In water; at 20 ℃; for 6h;
100 %Spectr.

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