2-amino-5-nitrobenzonitrile

Basic Information

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CAS Number

17420-30-3

Molecular Formula

C7H5N3O2

Molecular Weight

163.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

200-207 °C

Boiling Point

383.2°C at 760 mmHg

Refractive Index

1.5500 (estimate)

SMILES

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C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

InChI

InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2

InChIKey

MGCGMYPNXAFGFA-UHFFFAOYSA-N

LogP

2.15308

Complexity

227

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

H303

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CCRIS 9092
4-NITRO-2-CYANOANILINE
3-14-00-00980 (Beilstein Handbook Reference)
CAS-17420-30-3
UNII-SEZ79WRA1J
Q27289170
2-Kyan-4-nitroanilin
Benzonitrile, 2-amino-5-nitro-
InChI=1/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H
2-Amino-5-nitrobenzonitrile, 95%
F0020-1807
5-nitro-anthranilonitrile
NCGC00356958-01
SEZ79WRA1J
Anthranilonitrile, 5-nitro-
2-Amino-5-nitrobenzonitrile
SCHEMBL689735
4-Nitro-2-cyano aniline
PB47793
DTXSID0038839
Tox21_304032
AS-10860
17420-30-3
CHEMBL3560683
CS-W014319
FT-0637550
2-amino-5-nitro-benzonitrile
DTXCID8018839
2-Kyan-4-nitroanilin [Czech]
EINECS 241-446-8
2-Cyano-4-nitroaniline

MDL Number

MFCD00007362

Customs Code

2926909090

FAQ

What is 2-amino-5-nitrobenzonitrile (CAS: 17420-30-3)?

2-Amino-5-nitrobenzonitrile (CAS: 17420-30-3) is an organic compound with the chemical formula C7H5N2O2. It features a benzene ring substituted with an amino group (-NH2), a nitro group (-NO2), and a nitrile group (-CN). This compound is known for its aromatic character, moderate solubility in polar solvents, and potential reactivity due to its multiple functional groups, making it a key intermediate in various chemical processes.

What are the main uses of 2-amino-5-nitrobenzonitrile (CAS: 17420-30-3)?

2-Amino-5-nitrobenzonitrile (CAS: 17420-30-3) is primarily used in pharmaceutical research as a building block for drug development, particularly in antifungal and antiviral compounds. It also serves in industrial applications for dye synthesis and agrochemical formulations. Additionally, it is utilized in organic chemistry for creating derivatives in material science and functional group studies, highlighting its versatility in chemical innovation.

Is 2-amino-5-nitrobenzonitrile (CAS: 17420-30-3) safe?

2-Amino-5-nitrobenzonitrile (CAS: 17420-30-3) requires careful handling due to its potential toxicity. Exposure may cause irritation to the skin, eyes, and respiratory system. Safety standards advise using appropriate PPE, ensuring proper ventilation, and following OSHA guidelines. It is classified as a hazardous chemical, necessitating adherence to safety protocols to minimize risks during storage, transport, and use.

How should 2-amino-5-nitrobenzonitrile (CAS: 17420-30-3) be stored?

2-Amino-5-nitrobenzonitrile (CAS: 17420-30-3) should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Keep in a sealed, airtight container to maintain stability and prevent degradation. Avoid contact with incompatible substances and ensure storage areas are well-ventilated to comply with safety and chemical storage best practices.