3,5-Dinitrobenzonitrile

Basic Information

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CAS Number

4110-35-4

Molecular Formula

C7H3N3O4

Molecular Weight

193.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

129.0 to 132.0 deg-C

Boiling Point

329.31°C (rough estimate)

Flash Point

136.9°C

Refractive Index

1.5500 (estimate)

SMILES

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

InChI

InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H

InChIKey

SSDNULNTQAUNFQ-UHFFFAOYSA-N

LogP

2.42108

Complexity

274

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AKOS003382202
NSC35873
NSC 35873
NS00030922
FT-0614718
4110-35-4
EN300-343386
Z1255434747
BS-16738
A825431
CS-W015790
SCHEMBL1005421
3,5-bisnitrobenzonitrile
AC-907/25014150
NSC-35873
BDBM50101948
DTXSID60194050
5-Cyano-1,3-dinitrobenzene
3,5-Dinitrobenzonitrile, 97%
InChI=1/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3
CHEMBL292463
EINECS 223-889-9
3,5-Dinitrobenzonitrile
D2082
MFCD00007228
3,5 -dinitrobenzonitrile
WLN: WNR CNW ECN
3,5-Dinitro-benzonitrile
BENZONITRILE, 3,5-DINITRO-
3,5-dinitro-benzonitril
1,3-dinitro-5-cyanobenzene

MDL Number

MFCD00007228

Customs Code

2926909090

FAQ

What is 3,5-Dinitrobenzonitrile (CAS: 4110-35-4)?

3,5-Dinitrobenzonitrile (CAS: 4110-35-4) is a chemical compound with the molecular formula C7H5N3O4. It is a white to light yellow crystalline solid with a distinctive odor. It is soluble in organic solvents and slightly soluble in water.

What are the main uses of 3,5-Dinitrobenzonitrile (CAS: 4110-35-4)?

3,5-Dinitrobenzonitrile (CAS: 4110-35-4) is primarily used in the synthesis of various pharmaceuticals and dyes. It is also employed in the production of explosives and as an intermediate in organic synthesis processes.

Is 3,5-Dinitrobenzonitrile (CAS: 4110-35-4) safe?

3,5-Dinitrobenzonitrile (CAS: 4110-35-4) is potentially hazardous and requires proper handling. It can cause skin irritation and respiratory issues. Protective measures include wearing gloves, goggles, and a properly fitted respirator. Avoid exposure to heat and open flames to prevent fires and explosions.

How should 3,5-Dinitrobenzonitrile (CAS: 4110-35-4) be stored?

3,5-Dinitrobenzonitrile (CAS: 4110-35-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. Store it in a well-ventilated area and avoid contact with incompatible materials such as strong acids and bases.