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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

MDL Number:: MFCD00040301

MOL File:: 31643-49-9.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-28 05:13:35

Product description	Number	Pack Size	Price
4-Nitrophthalonitrile 99%	330590	5g	$174
4-Nitrophthalonitrile >98.0%(GC)	N0524	25g	$68
4-Nitrophthalonitrile >98.0%(GC)	N0524	100g	$240
4-Nitrophthalonitrile	FN36858	250g	$302.5
4-Nitrophthalonitrile	FN36858	500g	$480
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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)
EWG's Food Scores	1
EPA Substance Registry System	1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)
UNSPSC Code	12171500
NACRES	NA.47

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

target organs

Respiratory system

PPE

dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes

Risk Statements

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

Safety Statements

26-36

WGK Germany

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(91)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	330590	4-Nitrophthalonitrile 99%	31643-49-9	5g	$174	2026-04-30	Buy
TCI Chemical	N0524	4-Nitrophthalonitrile >98.0%(GC)	31643-49-9	25g	$68	2026-04-30	Buy
TCI Chemical	N0524	4-Nitrophthalonitrile >98.0%(GC)	31643-49-9	100g	$240	2026-04-30	Buy
Biosynth	FN36858	4-Nitrophthalonitrile	31643-49-9	250g	$302.5	2026-06-04	Buy
Biosynth	FN36858	4-Nitrophthalonitrile	31643-49-9	500g	$480	2026-06-04	Buy

Product number	Packaging	Price	Buy
330590	5g	$174	Buy
N0524	25g	$68	Buy
N0524	100g	$240	Buy
FN36858	250g	$302.5	Buy
FN36858	500g	$480	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.

References

[1] Acta Chemica Scandinavica, 1999, vol. 53, # 9, p. 714 - 720
[2] Materials Research Bulletin, 2016, vol. 75, p. 144 - 154
[3] Heterocycles, 1984, vol. 22, # 9, p. 2047 - 2052
[4] Patent: EP413415, 1991, A1
[5] Russian Chemical Bulletin, 2003, vol. 52, # 1, p. 150 - 153

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 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( 546)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Asia Chem I and E (Jiangsu) Co Ltd	+8615105181882	mera.z@nitrobenzenechemical.com	China	140	58
Chengdu Yuanda Chemical Co., Ltd	28-85356300 +8618980937689	sales@ydachem.com	CHINA	94	58
Dayang Chem (Hangzhou) Co.,Ltd.	+86-0571-88938639 +8617705817739	info@dycnchem.com	China	52704	58
Hebei Yanxi Chemical Co., Ltd.	+8618531123677	faithe@yan-xi.com	China	5853	58
Hebei Chuanghai Biotechnology Co,.LTD	+86-86-13131129325 +8613131129325	sales1@chuanghaibio.com	China	5225	58
Firsky International Trade (Wuhan) Co., Ltd	+8615387054039	admin@firsky-cn.com	China	427	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	20122	58
ShenZhen H&D Pharmaceutical Technology Co., LTD	+8618627948422	sale@hdimpurity.com	China	3681	58
Hebei Zhuanglai Chemical Trading Co Ltd	+86-16264648883	niki@zlchemi.com	China	7245	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29640	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
Hebei Chuanghai Biotechnology Co,.LTD	58
Firsky International Trade (Wuhan) Co., Ltd	58
Henan Fengda Chemical Co., Ltd	58
ShenZhen H&D Pharmaceutical Technology Co., LTD	58
Hebei Zhuanglai Chemical Trading Co Ltd	58
Capot Chemical Co.,Ltd.	60

Application examples of 4-Nitrophthalonitrile
4-Nitrophthalonitrile is an efficient, low toxicity, broad-spectrum pesticide intermediate, of which application were reported....
Sep 26，2025

View Lastest Price from 4-Nitrophthalonitrile manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-06-25	4-Nitrophthalonitrile 31643-49-9	$76.74	25Kg/Drum	99.50%HPLC	3tons/month	Asia Chem I and E (Jiangsu) Co Ltd
2026-05-28	5-Nitrobenzene-12-dicarbonitrile 31643-49-9	$10.70	10kg	99%	10000kg	Hebei Chuanghai Biotechnology Co,.LTD
2026-05-15	5-Nitrobenzene-1,2-dicarbonitrile 31643-49-9	$148.00	1KG	98%	1-20mt	Baoji Guokang Healthchem Co., Ltd.

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

5-Nitrobenzene-12-dicarbonitrile
31643-49-9
$10.70
99%
Hebei Chuanghai Biotechnology Co,.LTD

5-Nitrobenzene-1,2-dicarbonitrile
31643-49-9
$148.00
98%
Baoji Guokang Healthchem 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-nitro phthalic nitrile 4-Nitrophthalonitrile, 4-Nitrobenzene-1,2-dicarbonitrile 4-Nitrophthalonitrile, 99% 25GR ROXA-012 3,4-Dicyanonitrobenzene, 4-Nitrobenzene-1,2-dicarbonitrile Febuxostat Impurity 11 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 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- 4-NITROPHTALONITRILE 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 RSYY（Avanafil)-57 4-Nitrophthalonitrile, 97% p-nitrophthalonitrile 4NPN 4-Nitrophthalodinitrile 31643-49-9 31643-49-2 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