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HomeProduct name list3-Aminocrotononitrile

3-Aminocrotononitrile

Synonym(s):3-Amino-2-butenenitrile;3-Iminobutyronitrile;Diacetonitrile

  • CAS NO.:1118-61-2
  • Empirical Formula: C4H6N2
  • Molecular Weight: 82.1
  • MDL number: MFCD00008071
  • EINECS: 214-266-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-14 20:44:35
3-Aminocrotononitrile Structural

What is 3-Aminocrotononitrile?

Chemical properties

Yellowish flakes. 3-Amino-3-methylacrylonitrile [1118-61- 2], b-iminobutyronitrile, b-aminocrotononitrile, diacetonitrile, 3-amino-2-butenenitrile, NCCH=C (NH2) CH3, Mr 82.11, mp (cis-form) 79 – 83℃, mp (trans-form) 52 – 53℃, d774 0.9519, is a yellowish solid soluble in ethanol and diethyl ether; it is sparingly soluble in benzene and water.

The Uses of 3-Aminocrotononitrile

3-Aminocrotononitrile is used as intermediate for the syntheses of heterocycles (e.g. pyridines and pyrimidines) and for the production of polyurethane). It is used in the pharmaceutical (e.g. production of sulfsomizole) and dyestuff industries. Product Data Sheet

The Uses of 3-Aminocrotononitrile

3-Aminocrotononitrile reacts with ferrocenyl-1,2-enones to form ferrocenyl pyridines. It undergoes diazotization coupling reaction with p-substituted anilines to give 2-arylhydrazone-3-ketimino-butyronitriles.3-Aminocrotononitrile, (E)+(Z), is used in reaction with aryldiazonium salts gave, instead of the expected triazene, 2-arylhydrazono-3-ketobutyronitrile by electrophilic attack at the ?-carbon and hydrolysis of the resulting imine. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. 3-Aminocrotononitrile was used as bisnucleophilic reagent which on cyclocondensation with hexafluoroacetone(ethoxycarbonylimine) forms bis(trifluoromethyl)pyrimidinones.

Biochem/physiol Actions

3-Aminocrotononitrile reacts with ferrocenyl-1,2-enones to form ferrocenyl pyridines. It undergoes diazotization coupling reaction with p-substituted anilines to give 2-arylhydrazone-3-ketimino-butyronitriles.

Properties of 3-Aminocrotononitrile

Melting point: 79-81°C
Boiling point: 120°C 4mm
Density  0.952
refractive index  1.4449 (estimate)
Flash point: 154°C
storage temp.  2-8°C
solubility  95% ethanol: soluble25mg/mL, clear, colorless to yellow
pka 3.88±0.70(Predicted)
form  Flakes
color  Yellow
Water Solubility  Very soluble in water, soluble in ethanol.
BRN  1719815
CAS DataBase Reference 1118-61-2(CAS DataBase Reference)
NIST Chemistry Reference 2-Butenenitrile, 3-amino-(1118-61-2)
EPA Substance Registry System 2-Butenenitrile, 3-amino- (1118-61-2)

Safety information for 3-Aminocrotononitrile

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H311:Acute toxicity,dermal
H317:Sensitisation, Skin
Precautionary Statement Codes 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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

Computed Descriptors for 3-Aminocrotononitrile

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