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ChemicalBook > Product Catalog >Organic Chemistry >Hydrocarbons and derivatives >Hydrocarbon nitrification >4-Nitrophthalonitrile

4-Nitrophthalonitrile

4-Nitrophthalonitrile Structure
CAS No.
31643-49-9
Chemical Name:
4-Nitrophthalonitrile
Synonyms
4-NITROPHTHALONITRILE;4NPN;4-NITROPHTALONITRILE;4-Nitrophthalodinitrile;4-nitro phthalic nitrile;ROXA-012;RSYY（Avanafil)-57;TIMTEC-BB SBB008410;4-nitro-phthalonitril;p-nitrophthalonitrile
CBNumber:
CB9102334
Molecular Formula:
C8H3N3O2
Molecular Weight:
173.13
MOL File:
31643-49-9.mol
MSDS File:
SDS
Modify Date:
2026/6/29 20:13:11
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4-Nitrophthalonitrile Properties

Melting point 142-144 °C(lit.)
Boiling point 303.75°C (rough estimate)
Density 1.4553 (rough estimate)
refractive index 1.6500 (estimate)
storage temp. Sealed in dry,Room Temperature
form Crystalline Powder, Crystals and/or Chunks
color Light yellow, light greenish or light gray to beige
Water Solubility Sparingly soluble in water.(0.26 g/L) (25°C),
BRN 1877554
Major Application diagnostic assay manufacturing
hematology
histology
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
SMILES C1(C#N)=CC=C([N+]([O-])=O)C=C1C#N
CAS DataBase Reference 31643-49-9(CAS DataBase Reference)
EPA Substance Registry System 1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xn
Risk Statements  22-36/37/38-20/21/22
Safety Statements  26-36
WGK Germany  3
RTECS  TI8576000
TSCA  TSCA listed
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity mouse,LD50,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987.
REACH Registrations Active
NFPA 704
1
2 0

4-Nitrophthalonitrile price More Price(5)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 330590 4-Nitrophthalonitrile 99% 31643-49-9 5G ₹28545.53 2022-06-14 Buy
ALFA India ALF-H33546-09 4-Nitrophthalonitrile, 97% 31643-49-9 10g ₹9384 2022-05-26 Buy
ALFA India ALF-H33546-03 4-Nitrophthalonitrile, 97% 31643-49-9 1g ₹3171 2022-05-26 Buy
TCI Chemicals (India) N0524 4-Nitrophthalonitrile min. 98.0 % 31643-49-9 25G ₹15200 2022-05-26 Buy
TCI Chemicals (India) N0524 4-Nitrophthalonitrile min. 98.0 % 31643-49-9 100G ₹19500 2022-05-26 Buy
Product number Packaging Price Buy
330590 5G ₹28545.53 Buy
ALF-H33546-09 10g ₹9384 Buy
ALF-H33546-03 1g ₹3171 Buy
N0524 25G ₹15200 Buy
N0524 100G ₹19500 Buy

4-Nitrophthalonitrile Chemical Properties,Uses,Production

Chemical Properties

light yellow, light greenish or light grey to

Uses

4-Nitrophthalonitrile is a useful chemical in organic synthesis. Dyes and metabolites.

Preparation

Synthesis of 4-Nitrophthalonitrile: SOCl2 (83.5 mL. 1.144 mol) was added dropwise under nitrogen purge to dry DMF (200 mL) which had been cooled to 0-5 °C. The solution was allowed to stir for 15 min at 0-5 °C. The 4-nitrophthalamide (60.1 g, 0.286 mol) was then added and the solution was allowed to slowly warm to room temperature and react for 18 h under nitrogen purge. The solution was then slowly added to ice water to crystallize and precipitate the product. The 4-nitrophthalonitrile was collected using vacuum filtration, washed with ice cold water, and allowed to air dry overnight; yield: 45.2 g (92%); m.p.: 141 °C (det. by DSC)
1 H NMR((CD3)2SO): 8.41 (dd, 1H), 8.67 (dd, 1H), 9.03 (dd, 1H) FTIR: 3091 (m, aromatic C-H stretch), 2242 (d, CN stretch), 1534 (s, asymmetric N=O stretch), 1349 (s, symmetric N=O stretch), 853 (s, C-N stretch)

Synthesis

4-Nitrophthalonitrile synthesized from phthalimide in three steps. The reaction time of ruthenium chloride and HZSM-5 catalysts was very shorter than ammonium molybdate and Hβ catalysts. The yield while we used ruthenium chloride and HZSM-5 catalysts were very higher than another.
Synthesis of 4-Nitrophthalonitrile
In a three necked flask, 70 mL of dry dimethylformamide (DMF) was cooled to 0 °C under a stream of nitrogen and 7.3 mL of thionyl chloride was added so that the internal temperature did not go beyond 5 °C. After addition, nitrogen flow was ceased and a calcium chloride tube was added to the top of flask. Meanwhile, the color of the medium was observed to be yellow. Then, 10 g (0.048 mol) of 4- nitrophthalamide was slowly added so that the internal temperature did not go beyond 5 °C. The mixture was stirred over ice bath for 1 hour. The mixture was stirred at room temperature for 2 hours and then poured over 500 g of ice-water. The precipitate was filtered and washed successively with water, 250 mL 5% sodium hydrogencarbonate solution, and water again and dried in a vacuum oven at 110-120 °C. Molecular formula: C8H3N3O2. Yield: 7.4 g (90%). Mp: 141 °C.

4-Nitrophthalonitrile Preparation Products And Raw materials

Raw materials

1H-Isoindol-1-one, 3-hydroxy- 1,2-Benzenedicarbonyl dichloride,4-nitro- 3-Nitrophthalonitrile 4-Nitrophthaldiamide 4-Nitrophthalimide
Phthalonitrile 4-Nitrophthalic acid Trifluoroacetic anhydride Water 1,4-Dioxane
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Preparation Products

4-Hydroxyphthalic acid 4-Phenoxyphthalonitrile 4-Hydroxyphthalonitrile 4-Hydroxyphthalic anhydride methyl 2-(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxamido)acetate
ROXA-016
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4-Nitrophthalonitrile Suppliers

Global( 557)Suppliers
Supplier Tel Country ProdList Advantage Inquiry
BTC pharm India +91-8790379245 AndhraPradesh, India 1259 58 Inquiry
GRINDLAYS PHARMACEUTICALS PRIVATE LIMITED +91-91-22-25278801 +91-2225278801 Mumbai, India 83 58 Inquiry
Indo Overseas +91 9324533407 Ahmedabad, India 6 58 Inquiry
SNECOFRi Pvt Ltd +91-9032850129 Telangana, India 402 58 Inquiry
LAURICE LABS +91-9820672480 Maharashtra, India 40 58 Inquiry
Adroit Pharmachem Pvt. Ltd. +91-6358748078 Gujarat, India 16 58 Inquiry
Anami Organics +91-9662506075 +91-9825113634 Gujarat, India 58 58 Inquiry
Prism Industries Ltd +91-9825050731 +91-9227406992 Gujarat, India 28 58 Inquiry
Earthchem Laboratories P Ltd +91-9923536956 +91-9923536947 Maharashtra, India 59 58 Inquiry
JSK Chemicals +919879767970 Gujarat, India 3745 58 Inquiry
Supplier Advantage
BTC pharm India 58
GRINDLAYS PHARMACEUTICALS PRIVATE LIMITED 58
Indo Overseas 58
SNECOFRi Pvt Ltd 58
LAURICE LABS 58
Adroit Pharmachem Pvt. Ltd. 58
Anami Organics 58
Prism Industries Ltd 58
Earthchem Laboratories P Ltd 58
JSK Chemicals 58

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4-nitro-2-benzenedicarbonitrile 4-nitro-phthalonitril 4-Nitrophthalonitrile, 4-Nitrobenzene-1,2-dicarbonitrile 4-Nitrophthalonitrile, 99% 25GR 3,4-Dicyanonitrobenzene, 4-Nitrobenzene-1,2-dicarbonitrile Febuxostat Impurity 11 4-Nitrobenzene-1,2-dicarbonitrile PHTHALONITRILE, 4-NITRO- TIMTEC-BB SBB008410 4-NITRO-1,2-BENZENE DICARBONITRILE 4-NITRO-1,2-DICYANOBENZENE 4-NITRO-O-BENZENEDINITRILE 4-NITROBENZENE-1,2-DINITRILE 4-NITROPHTHALIC ACID DINITRILE 3,4-DICYANO-1-NITROBENZENE 3,4-DICYANONITROBENZENE 5-Nitrobenzene-1,2-dicarbonitrile 1,2-DICYANO-4-NITROBENZENE 4-Nitrophthalonitrile99% 4-nitro-1,2-benzendicarbonitrile 4-Nitro-1,2-benzene-dicarbonitrile（4-nitrophthalonitrile） 4-nitro-2-benzenedicarbonitril 1,2-Benzenedicarbonitrile, 4-nitro- ROXA-012 Febuxostat related Compound 1 4-Nitrophthalonitrile> 5-Nitrobenzene-1,2-dicarbonitrile ISO 9001：2015 REACH 4-Nitrophthalonitrile (ASAP) 4-Nitrophthalonitrile CAS 31643-49-9 5-Nitrobenzene-1, 2-Dicarbonitrile Febuxostat Impurities8 4-nitro phthalic nitrile 4-NITROPHTHALONITRILE 4-NITROPHTALONITRILE RSYY（Avanafil)-57 4-Nitrophthalonitrile, 97% p-nitrophthalonitrile 4NPN 4-Nitrophthalodinitrile 31643-49-9 31364-49-9 31643-49-2 O2NC6H312CN2 Phthalonitriles (Building Blocks for Phthalocyanines) Phthalonitriles & Naphthalonitriles Organic Building Blocks Nitrogen Compounds Cyanides/Nitriles C8 to C9 Building Blocks N Stains and Dyes Stains&Dyes, A to C8 to C9 Cyanides/Nitriles Nitrogen Compounds Aromatic Nitriles Functional Materials