ChemicalBook > CAS DataBase List > 4-Amino-3-nitrobenzonitrile

4-Amino-3-nitrobenzonitrile

Product Name
4-Amino-3-nitrobenzonitrile
CAS No.
6393-40-4
Chemical Name
4-Amino-3-nitrobenzonitrile
Synonyms
BUTTPARK 96\04-65;4-Cyano-2-nitroaniline;2-Nitro-4-cyanoaniline;3-Nitro-4-Aminobenzonitrile;4-AMINO-3-NITROBENZONITRILE;Benzonitrile, 4-amino-3-nitro-;4-Amino-3-nitrobenzonitrile >4-Amino-3-nitrobenzonitrile,98%;4-AMINO-3-NITROBENZONITRILE 98%;4-AMino-3-nitrobenzonitrile, 97+%
CBNumber
CB4675356
Molecular Formula
C7H5N3O2
Formula Weight
163.13
MOL File
6393-40-4.mol
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4-Amino-3-nitrobenzonitrile Property

Melting point:
159-162 °C (lit.)
Boiling point:
349.8±32.0 °C(Predicted)
Density 
1.41±0.1 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
Soluble in ethanol and benzene.
pka
-3.52±0.10(Predicted)
form 
Powder, Crystals or Crystalline Powder
color 
Yellow
BRN 
778939
InChI
InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChIKey
JAHADAZIDZMHOP-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(N)C([N+]([O-])=O)=C1
CAS DataBase Reference
6393-40-4(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-36-36/37/39
RIDADR 
3276
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

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.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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
324698
Product name
4-Amino-3-nitrobenzonitrile
Purity
98%
Packaging
5g
Price
$61.6
Updated
2023/06/20
TCI Chemical
Product number
A2447
Product name
4-Amino-3-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$170
Updated
2025/07/31
TCI Chemical
Product number
A2447
Product name
4-Amino-3-nitrobenzonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$678
Updated
2025/07/31
TRC
Product number
A618398
Product name
4-Amino-3-nitrobenzonitrile
Packaging
1g
Price
$55
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
JK156087
Product name
4-Amino-3-nitrobenzonitrile
Purity
98%
Packaging
5g
Price
$127
Updated
2021/12/16
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4-Amino-3-nitrobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

4-Amino-3-nitrobenzonitrile is used in gamma irradiations effect on release of this compound from polyanhydride matrixes.

Uses

Gamma irradiations effect on release of 4-amino-3-nitrobenzonitrile from polyanhydride matrixes.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 36, p. 1746, 1993 DOI: 10.1021/jm00064a008

Synthesis

35704-19-9

6393-40-4

General procedure for the synthesis of 4-amino-3-nitrobenzonitrile from 4'-cyanoacetanilide: potassium nitrate (15.6 mmol) was dissolved in 8 mL of concentrated sulfuric acid and the mixture was cooled to below 0 °C. Under this cooling condition, 7.8 mmol of 4'-cyanoacetanilide was slowly added, keeping the reaction temperature at 0 °C for 3.5 hours. Upon completion of the reaction, the mixture was poured into an ice water bath and the resulting yellow solid was collected by filtration and washed with a small amount of cold water. Subsequently, the resulting product was suspended in 30 mL of 2 mol/L sulfuric acid solution and heated under reflux conditions for 3 hours. At the end of the reaction, the suspension was cooled to room temperature, and the yellow solid was again collected by filtration and washed with a small amount of cold water to finally obtain the target product 4-amino-3-nitrobenzonitrile in 74% yield.

References

[1] Journal of the Brazilian Chemical Society, 2018, vol. 29, # 6, p. 1304 - 1317
[2] Journal of the Chemical Society, 1950, p. 1722,1725
[3] Journal of Medicinal Chemistry, 1995, vol. 38, # 10, p. 1786 - 1792
[4] Australian Journal of Chemistry, 1994, vol. 47, # 2, p. 247 - 262
[5] Journal of Medicinal Chemistry, 1993, vol. 36, # 12, p. 1746 - 1753

4-Amino-3-nitrobenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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4-Amino-3-nitrobenzonitrile Suppliers

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View Lastest Price from 4-Amino-3-nitrobenzonitrile manufacturers

Henan Fengda Chemical Co., Ltd
Product
4-Amino-3-nitrobenzonitrile 6393-40-4
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-25
Zhuozhou Wenxi import and Export Co., Ltd
Product
4-Amino-3-nitrobenzonitrile 6393-40-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10
Zhuozhou Wenxi import and Export Co., Ltd
Product
4-Amino-3-nitrobenzonitrile 6393-40-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09

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