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4-Nitrophthalonitrile

4-Nitrophthalonitrile structure

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

Molecular Weight:: 173.13

MDL Number:: MFCD00040301

MOL File:: 31643-49-9.mol

MSDS File:: SDS

Last updated:2023-12-22 17:53:22

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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
CAS DataBase Reference	31643-49-9(CAS DataBase Reference)
EWG's Food Scores	1
EPA Substance Registry System	1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H302-H315-H319-H335

Precautionary statements

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Hazard Codes

Risk Statements

22-36/37/38-20/21/22

Safety Statements

26-36

WGK Germany

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.

NFPA 704

	1
2		0

4-Nitrophthalonitrile price More Price(34)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	330590	4-Nitrophthalonitrile 99%	31643-49-9	5g	$322	2024-03-01	Buy
TCI Chemical	N0524	4-Nitrophthalonitrile >98.0%(GC)	31643-49-9	25g	$68	2024-03-01	Buy
TCI Chemical	N0524	4-Nitrophthalonitrile >98.0%(GC)	31643-49-9	100g	$240	2024-03-01	Buy
Alfa Aesar	H33546	4-Nitrophthalonitrile, 97%	31643-49-9	1g	$27.65	2024-03-01	Buy
Alfa Aesar	H33546	4-Nitrophthalonitrile, 97%	31643-49-9	10g	$160.65	2024-03-01	Buy

Product number	Packaging	Price	Buy
330590	5g	$322	Buy
N0524	25g	$68	Buy
N0524	100g	$240	Buy
H33546	1g	$27.65	Buy
H33546	10g	$160.65	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 synthesis

Synthesis of 4-Nitrophthalonitrile from 4-Nitrophthaldiamide

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

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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( 500)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Asia Chem I and E (Jiangsu) Co Ltd	+8615105181882	mera.z@nitrobenzenechemical.com	China	129	58
Chengdu Yuanda Chemical Co., Ltd	28-85356300 +8618980937689	sales@ydachem.com	CHINA	94	58
Dayang Chem (Hangzhou) Co.,Ltd.	571-88938639 +8617705817739	info@dycnchem.com	CHINA	52867	58
Hebei Yanxi Chemical Co., Ltd.	+8617531190177	peter@yan-xi.com	China	5993	58
Firsky International Trade (Wuhan) Co., Ltd	+8615387054039	admin@firsky-cn.com	China	436	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	7845	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21691	55
Hangzhou FandaChem Co.,Ltd.	008657128800458; +8615858145714	fandachem@gmail.com	China	9348	55
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	32480	60

Supplier	Advantage
Asia Chem I and E (Jiangsu) Co Ltd	58
Chengdu Yuanda Chemical Co., Ltd	58
Dayang Chem (Hangzhou) Co.,Ltd.	58
Hebei Yanxi Chemical Co., Ltd.	58
Firsky International Trade (Wuhan) Co., Ltd	58
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Henan Tianfu Chemical Co.,Ltd.	55
Hangzhou FandaChem Co.,Ltd.	55
ATK CHEMICAL COMPANY LIMITED	60

View Lastest Price from 4-Nitrophthalonitrile manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2024-04-26	4-Nitrophthalonitrile 31643-49-9	US $76.74 / Kg/Drum	25Kg/Drum	99.50%HPLC	3tons/month	Asia Chem I and E (Jiangsu) Co Ltd
2023-12-23	4-Nitrophthalonitrile 31643-49-9	US $50.00-1.00 / KG	1KG	99%	g-kg-tons, free sample is available	Henan Fengda Chemical Co., Ltd
2023-10-14	4-Nitrophthalonitrile 31643-49-9	US $0.00 / kg	1kg	0.99	20tons	Hebei Yanxi Chemical Co., Ltd.

4-Nitrophthalonitrile
31643-49-9
US $76.74 / Kg/Drum
99.50%HPLC
Asia Chem I and E (Jiangsu) Co Ltd

4-Nitrophthalonitrile
31643-49-9
US $50.00-1.00 / KG
99%
Henan Fengda Chemical Co., Ltd

4-Nitrophthalonitrile
31643-49-9
US $0.00 / kg
0.99
Hebei Yanxi Chemical Co., Ltd.

4-Nitrophthalonitrile Spectrum

4-Nitrophthalonitrile(31643-49-9)¹HNMR 4-Nitrophthalonitrile(31643-49-9)Raman 4-Nitrophthalonitrile(31643-49-9)FT-IR 4-Nitrophthalonitrile(31643-49-9)IR

31643-49-9(4-Nitrophthalonitrile)Related 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

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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-Nitrophthalodinitrile 4-Nitrophthalonitrile (ASAP) 4-Nitrophthalonitrile CAS 31643-49-9 5-Nitrobenzene-1, 2-Dicarbonitrile Febuxostat Impurities8 4-nitro phthalic nitrile 4-NITROPHTHALONITRILE 4-NITROPHTALONITRILE 4NPN RSYY（Avanafil)-57 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 Phthalonitriles & Naphthalonitriles Phthalonitriles (Building Blocks for Phthalocyanines)