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HomeProduct name list3,5-Dinitrobenzonitrile

3,5-Dinitrobenzonitrile

  • CAS NO.:4110-35-4
  • Empirical Formula: C7H3N3O4
  • Molecular Weight: 193.12
  • MDL number: MFCD00007228
  • EINECS: 223-889-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-27 16:27:43
3,5-Dinitrobenzonitrile Structural

What is 3,5-Dinitrobenzonitrile?

Chemical properties

yellow crystals or crystalline powder

Preparation

In a well-ventilated hood, diphosgene (2 mL) was added dropwise to a cold (0–5 C°), stirred solution of 3,5-dinitrobenzamide (2.1 g, 10 mmol) in trimethyl phosphate (6.3 mL). The reaction mixture was then slowly heated to 60 C° for 5 min to ensure completion of the reaction and also to distil off any generated phosgene. After cooling in an ice/water bath, the reaction mixture was vigorously stirred and iced water (10 mL) was added to destroy any traces of phosgene or chloroformate. The precipitated solid product was collected by filtration, washed with water to eliminate traces of HCl and trimethyl phosphate, and air-dried; yield: 1.88 g (96%), mp 127–129 C°. Recrystallization from diisopropyl ether gave an analytically pure product, mp 130–131 C°.
The same authors also reported that alkyl, benzylic, aryl, and heteroaryl aldoximes bearing various functionalities could be readily converted to the corresponding nitriles using diphosgene in good yields of 82–96%.

Synthesis Reference(s)

Tetrahedron Letters, 27, p. 2203, 1986 DOI: 10.1016/S0040-4039(00)84487-1

Properties of 3,5-Dinitrobenzonitrile

Melting point: 126-130 °C(lit.)
Boiling point: 329.31°C (rough estimate)
Density  1.6504 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Insoluble in water
form  powder to crystal
color  White to Yellow to Green
CAS DataBase Reference 4110-35-4(CAS DataBase Reference)
NIST Chemistry Reference Benzonitrile, 3,5-dinitro-(4110-35-4)

Safety information for 3,5-Dinitrobenzonitrile

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
GHS Hazard Statements H228:Flammable solids
H301:Acute toxicity,oral
H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.
P501:Dispose of contents/container to..…

Computed Descriptors for 3,5-Dinitrobenzonitrile

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