ChemicalBook > CAS DataBase List > 4-Nitrophthalonitrile

4-Nitrophthalonitrile

Product Name
4-Nitrophthalonitrile
CAS No.
31643-49-9
Chemical Name
4-Nitrophthalonitrile
Synonyms
4-NITROPHTHALONITRILE;4-NITROPHTALONITRILE;4NPN;4-nitro phthalic nitrile;ROXA-012;RSYY（Avanafil)-57;TIMTEC-BB SBB008410;4-nitro-phthalonitril;Febuxostat Impurity 11;Febuxostat Impurities8
CBNumber
CB9102334
Molecular Formula
C8H3N3O2
Formula Weight
173.13
MOL File
31643-49-9.mol
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4-Nitrophthalonitrile Property

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
CAS DataBase Reference
31643-49-9(CAS DataBase Reference)
EPA Substance Registry System
1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-36/37/38-20/21/22
Safety Statements 
26-36
WGK Germany 
3
RTECS 
TI8576000
TSCA 
Yes
HS Code 
29269090
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.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

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
330590
Product name
4-Nitrophthalonitrile
Purity
99%
Packaging
5g
Price
$322
Updated
2024/03/01
TCI Chemical
Product number
N0524
Product name
4-Nitrophthalonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$68
Updated
2024/03/01
TCI Chemical
Product number
N0524
Product name
4-Nitrophthalonitrile
Purity
>98.0%(GC)
Packaging
100g
Price
$240
Updated
2024/03/01
Alfa Aesar
Product number
H33546
Product name
4-Nitrophthalonitrile, 97%
Packaging
1g
Price
$27.65
Updated
2024/03/01
Alfa Aesar
Product number
H33546
Product name
4-Nitrophthalonitrile, 97%
Packaging
10g
Price
$160.65
Updated
2024/03/01
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4-Nitrophthalonitrile Chemical Properties,Usage,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.

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

Preparation Products

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4-Nitrophthalonitrile Suppliers

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View Lastest Price from 4-Nitrophthalonitrile manufacturers

Asia Chem I and E (Jiangsu) Co Ltd
Product
4-Nitrophthalonitrile 31643-49-9
Price
US $76.74/Kg/Drum
Min. Order
25Kg/Drum
Purity
99.50%HPLC
Supply Ability
3tons/month
Release date
2021-09-23
Hebei Mojin Biotechnology Co.,Ltd
Product
5-Nitrobenzene-1,2-dicarbonitrile 31643-49-9
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
50000KG/month
Release date
2024-09-05
Hebei Zhuanglai Chemical Trading Co Ltd
Product
5-Nitrobenzene-12-dicarbonitrile 31643-49-9
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-12-17

31643-49-9, 4-NitrophthalonitrileRelated Search:

4-Nitrophthalic acid 4-(2-Methylpropoxy)-1,3-benzenedicarbothioaMide Febuxostat Impurity 8 isopropyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate 3-Cyano-4-isobutoxybenzoic acid FeBuxostat Impurity 33 Febuxostat impurity 37 Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate Febuxostat-d9 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid 2-HYDROXY-THIOBENZAMIDE 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide Febuxostat Impurity 6 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid 4-ISOBUTOXY-BENZALDEHYDE

  • 4-nitro-2-benzenedicarbonitrile
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  • 4-Nitrophthalonitrile, 99% 25GR
  • ROXA-012
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  • 4-Nitrobenzene-1,2-dicarbonitrile
  • Febuxostat related Compound 1
  • 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
  • 4-NITROPHTHALONITRILE
  • 3,4-DICYANO-1-NITROBENZENE
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  • 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-
  • 4-NITROPHTALONITRILE
  • 4-Nitrophthalonitrile&gt
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  • 5-Nitrobenzene-1,2-dicarbonitrile ISO 9001：2015 REACH
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  • Febuxostat Impurities8
  • RSYY（Avanafil)-57
  • 31643-49-9
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  • 31364-49-9
  • 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
  • Phthalonitriles & Naphthalonitriles
  • Phthalonitriles (Building Blocks for Phthalocyanines)