ChemicalBook--->CAS DataBase List--->105-56-6

105-56-6

105-56-6 Structure

105-56-6 Structure
IdentificationMore
[Name]

Ethyl cyanoacetate
[CAS]

105-56-6
[Synonyms]

AKOS BBS-00004275
CYANOACETIC ACID ETHYL ESTER
ECYA
ETHYL 2-CYANOACETATE
ETHYL CYANOACETATE
ETHYL CYANOETHANOATE
MALONIC ACID ETHYL ESTER NITRILE
2-cyano-aceticacidethylester
Acetic acid,2-cyano-, ethyl ester
Aceticacid,cyano-,ethylester
Cyanacetate ethyle
cyanacetateethyle
Cyanessigester
cyanoacetated’ethyle
Cyanoacetic ester
cyano-aceticaciethylester
cyanoaceticester
Cyanoessigsαureethylester
Estere cianoacetico
esterecianoacetico
[EINECS(EC#)]

203-309-0
[Molecular Formula]

C5H7NO2
[MDL Number]

MFCD00001940
[Molecular Weight]

113.11
[MOL File]

105-56-6.mol
Chemical PropertiesBack Directory
[Appearance]

Ethyl cyanoacetate is a colorless to straw colored liquid with a mild pleasant odor
[mp ]

-22 °C
[Melting point ]

-22 °C (lit.)
[Boiling point ]

208-210 °C (lit.)
[bp ]

208-210 °C(lit.)
[density ]

1.063 g/mL at 25 °C(lit.)
[vapor density ]

3.9 (vs air)
[vapor pressure ]

1 mm Hg ( 67.8 °C)
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

20g/l
[pka]

3.19±0.10(Predicted)
[form ]

Liquid
[color ]

Clear
[Water Solubility ]

20 g/L (20 ºC)
[Merck ]

14,3786
[BRN ]

605871
[CAS DataBase Reference]

105-56-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, cyano-, ethyl ester(105-56-6)
[EPA Substance Registry System]

105-56-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3276
[WGK Germany ]

1
[RTECS ]

AG4110000
[F ]

10
[Autoignition Temperature]

460 °C
[TSCA ]

Yes
[HS Code ]

29269090
[Safety Profile]

oison by ingestion. Moderately toxic by intraperitoneal and subcutaneous routes. Combustible when exposed to heat or flame; can react with oxidzing materials. Wdl react with water or steam to produce toxic and flammable vapors. To fight fire, use CO2, dry chemical. When heated to decomposition or on contact with acid or acid fumes it emits highly toxic fumes of CN-. See also NITRILES.
[Hazardous Substances Data]

105-56-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Sulfuric acid-->Sodium cyanide-->Chloroacetic acid-->Ethyl chloroacetate-->Sodium chloroacetate-->Cyanoacetic acid
[Preparation Products]

Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate-->2-AMINO-5-ISOPROPYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->Dacarbazine-->Triamterene-->2-AMINO-4,6-DIMETHYL-3-PYRIDINECARBOXAMIDE-->Allopurinol-->5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER-->6-AMINO-2-MERCAPTO-PYRIMIDIN-4-OL-->3-AMINO-2,2-DIMETHYL-1-PROPANOL-->ETHYL 2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE-->1-Cyclohexyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carbonitrile ,97%-->6-AMINO-3-METHYLURACIL-->2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE-->5,6-Diamino-1-methyluracil-->6-AMINO-2-METHYLTHIO-3-METHYLURACIL-->5-CYANO-6-HYDROXY-4-METHOXYMETHYL-2-METHYLPYRIDINE-->GUANINE SULFATE-->6-AMINO-1-METHYL-5-NITROSOURACIL-->6-CHLORO-5-CYANO-4-METHOXYMETHYL-3-NITRO-2-PICOLINE-->Ethyl α-cyanoacrylate instantaneous adhesive-->2-CHLORO-4-METHYLQUINOLINE-3-CARBONITRILE-->ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE-->6-Amino-1-methyluracil-->2-Amino-4-trifluoromethylbenzonitrile-->ETHYL 5-AMINO-1-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLATE-->2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->2-(4,6-diamino-1,3,5-triazin-2-yl)acetic acid-->5-AMINO-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER-->1-ETHYL-1-METHYLSUCCINIC ACID-->6-Aminouracil-->Disperse Yellow S-3GL-->Amiloride hydrochloride-->ETHYL 2-CYANO-3-METHYL-2-PENTENOATE-->ETHYL(Z)-2-CYANO-3-ETHOXY-2-PROPENOATE-->4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate
Hazard InformationBack Directory
[General Description]

A colorless liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. Flash point 210°F. May be toxic by ingestion. Used to make other chemicals.
[Reactivity Profile]

ETHYL CYANOACETATE(105-56-6) is both a nitrile and an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
[Air & Water Reactions]

Slightly soluble in water.
[Hazard]

Toxic by ingestion and inhalation.
[Health Hazard]

TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
[Potential Exposure]

A nitrile used to manufacture dyes, pharmaceuticals, and other chemicals.
[Fire Hazard]

Combustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately.If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN3276 Nitriles, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required, Potential Inhalation Hazard (Special Provision 5).
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, and reducing agents. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids. Reacts with moisture, water, and steam, forming toxic fumes.
[Description]

Ethyl cyanoacetate is the ethyl ester of cyanoacetic acid. Ethyl cyanoacetate hydrolizes rapidly under neutral and alkaline conditions to cyanoacetic acid and ethanol (and so it does under most physiological and environmental conditions), while in acid pH the half life is considerably longer.
Knoevenagel condensation of ethyl cyanoacetate with aldehyde is reported. Microwave enhanced Knoevenegal condensation reaction of ethyl cyanoacetate with an aldehyde, P2O5, piperidine and chlorobenzene is reported.
[Chemical Properties]

Ethyl cyanoacetate is a colorless to straw colored liquid with a mild pleasant odor
[Waste Disposal]

Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal.
[Uses]

Reagent used in labelled pyrimidine and purine synthesis. Ethyl cyanoacetate is an ester. It may be used in the synthesis of ethyl glyoxylate.It was used to investigate the Knoevenagel condensation reactions in microreactor using zeolite catalysts obtained by grafting amino groups onto NaX and CsNaX zeolites.
[Preparation]

Ethyl cyanoacetate can be prepared by the action of sodium or potassium cyanide on ethyl chloroacetate, and by the action of sodium cyanide on sodium chloroacetate, followed by esterification.
[Application]

Ethyl cyanoacetate may be used in the synthesis of ethyl glyoxylate. It was used to investigate the Knoevenagel condensation reactions in microreactor using zeolite catalysts obtained by grafting amino groups onto NaX and CsNaX zeolites.
[Purification Methods]

Shake the ester several times with aqueous 10% Na2CO3, wash it well with water, dry with Na2SO4 and fractionally distil it. [Beilstein 2 IV 1889.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 2-cyanoacetate(105-56-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl cyanoacetate(105-56-6)MS
Ethyl cyanoacetate(105-56-6)1HNMR
Ethyl cyanoacetate(105-56-6)13CNMR
Ethyl cyanoacetate(105-56-6)IR1
Ethyl cyanoacetate(105-56-6)IR2
Ethyl cyanoacetate(105-56-6)Raman
Ethyl cyanoacetate(105-56-6)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl cyanoacetate, 98+%(105-56-6)
[Alfa Aesar]

Ethyl cyanoacetate, 98+%(105-56-6)
[Sigma Aldrich]

105-56-6(sigmaaldrich)
[TCI AMERICA]

Ethyl Cyanoacetate,>98.0%(GC)(105-56-6)
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