CAS No.105-56-6,Ethyl cyanoacetate Suppliers

Products Categories

Pharmaceutical (73)
Others (41)
Organic Chemicals (26)
Materials (8)
Reagent (3)

Basic Information

Molecular Structure:
CAS No.:	105-56-6
Name:	Ethyl cyanoacetate
Article Data:	109

Formula:	C₅H₇NO₂
Molecular Weight:	113.116
Synonyms:	Ethyl cyanoacetate [UN2666] [Keep away from food];Ethylester kyseliny kyanoctove [Czech];Cyanoacetic ester;Cyanoacetic acid, ethyl ester;Stearate Methyl;Cyanoacetic acid ethyl ester;Cyanacetate ethyle [German];Usaf kf-25;Malonic acid ethyl ester nitrile;Malonic acid, ethyl ester nitrile;Ethyl cyanacetate;Estere cianoacetico [Italian];ethyl 2-cyanoacetate;Ethyl cyanoethanoate;Acetic acid, cyano-, ethyl ester;Cyanacetate ethyle;
EINECS:	203-309-0
Density:	1.047 g/cm³
Melting Point:	-22 °C
Boiling Point:	203.6 °C at 760 mmHg
Flash Point:	84.1 °C
Solubility:	20 g/L (20 °C) in water
Appearance:	Clear to very yellow liquid
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/38
Safety:	36/37/39-26
Transport Information:	UN 3276
PSA:	50.09000
LogP:	0.46318

Synthetic route

: 2141-62-0
3-(ethoxy)propionitrile

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With N-hydroxyphthalimide; cobalt(II) acetate In acetonitrile at 190℃; under 6750.68 Torr; for 7h;

: sodium 3-ethoxy-3-oxoprop-1-en-1-olate

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In ethanol at 90℃; for 4h; pH=2; pH-value; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	81%

: 64-17-5
ethanol

: 372-09-8
cyanoacetic acid

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane for 18h; Heating;	95%
With sulfuric acid In dichloromethane for 18h; Reflux; Dean-Stark;	95%
With sulfuric acid; sulfur trioxide at 20 - 70℃; for 4h; Temperature; Reflux;	93.6%

: 74-90-8
hydrogen cyanide

: 105-39-5
chloroacetic acid ethyl ester

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With triethylamine at 15℃; for 4.83333h; Concentration; Reagent/catalyst; Solvent; Temperature; Time;	94.2%

: 773837-37-9
sodium cyanide

: 105-39-5
chloroacetic acid ethyl ester

A: 10359-15-6
diethyl 2-cyanosuccinate

B: 20822-61-1
triethyl 2-cyano-1,2,3-propanetricarboxylate

C: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With tetrabutylammomium bromide In dichloromethane; water at 20℃; for 4h;	A 10.4% B 5.4% C 44%

...Expand

: 64-17-5
ethanol

: 107-91-5
cyanoacetic acid amide

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With sulfuric acid for 3h; Time; Reflux;	97%
With sulfuric acid for 3h; Reflux;	97%

: 773837-37-9
sodium cyanide

: 74-90-8
hydrogen cyanide

: 105-39-5
chloroacetic acid ethyl ester

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With tetrabutylammomium bromide In water; acetonitrile at 55℃; for 2h; Product distribution / selectivity;	93.2%

...Expand

: 64-17-5
ethanol

: 372-09-8
cyanoacetic acid

A: 105-56-6
ethyl 2-cyanoacetate

B: 105-53-3
diethyl malonate

Conditions

Conditions	Yield
With sulfuric acid In hexane; ethyl acetate at 30 - 62℃; for 5h; Temperature; Solvent; Dean-Stark;	A 105.2 g B 1.8 g

...Expand

: 21860-86-6
aspartic acid 4-ethyl ester

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With trichloroisocyanuric acid; sodium hydroxide In water at 20℃; for 6h; Temperature;	85%

: 75-05-8
acetonitrile

: 105-56-6
ethyl 2-cyanoacetate

Conditions

Conditions	Yield
With sodium ethanolate; sodium amide; Diethyl carbonate at 140 - 160℃;
With sodium ethanolate; sodium amide; Diethyl carbonate at 140 - 160℃;
With sodium ethanolate; sodium amide; Diethyl carbonate at 140 - 160℃;

Raw Materials

105-36-2

67-56-1

95-54-5

83624-74-2

109-77-3

372-09-8

79-11-8

Downstream Products

536-57-2

Total:128 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 105-56-6

Analytical Methods

Ethyl cyanoacetate (CAS No.105-56-6) is both a nitrile and an ester.
As esters , it can 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.
As nitriles Ethyl cyanoacetate (CAS No.105-56-6) is 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.

Specification

The CAS registry number of Ethyl cyanoacetate is 105-56-6. Its EINECS registry number is 203-309-0. The IUPAC name is ethyl 2-cyanoacetate. In addition, the molecular formula is C₅H₇NO₂ and the molecular weight is 113.11. What's more, it belongs to the classes of Pharmaceutical Intermediates; EQ - EZ Analytical Standards; Esters Analytical Standards; Nitriles; Volatiles/ Semivolatiles. It can be used as intermediates in the preparation of vitamin B6 and caffeine. Besides, it also can be used as raw materials for organic synthesis.

Physical properties about this chemical are: (1)ACD/LogP: 0.06; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 50.09 Å²; (9)Index of Refraction: 1.412; (10)Molar Refractivity: 26.9 cm³; (11)Molar Volume: 107.9 cm³; (12)Polarizability: 10.66 ×10^-24cm³; (13)Surface Tension: 35.8 dyne/cm; (14)Density: 1.047 g/cm³; (15)Flash Point: 84.1 °C; (16)Enthalpy of Vaporization: 43.99 kJ/mol; (17)Boiling Point: 203.6 °C at 760 mmHg; (18)Vapour Pressure: 0.275 mmHg at 25°C .

Preparation of Ethyl cyanoacetate: it can be prepared by ethyl chloroacetate and sodium cyanide. The ethyl chloroacetate can be obtained by chloroacetic acid and ethanol through esterification reaction. The equation is as follows:

Ethyl cyanoacetate can be prepared by ethyl chloroacetate and sodium cyanide

Uses of Ethyl cyanoacetate: it can react with 2-hydroxy-benzaldehyde to get 2-imino-2H-chromene-3-carboxylic acid ethyl ester. This reaction will need catalyst AlPO₄-Al₂O₃. The reaction time is 1 hour with ambient temperature. The yield is about 58%.

Ethyl cyanoacetate can react with 2-hydroxy-benzaldehyde to get 2-imino-2H-chromene-3-carboxylic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)OCC
(2)InChI: InChI=1/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
(3)InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	subcutaneous	4200mg/kg (4200mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig	LD50	subcutaneous	1115mg/kg (1115mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: NAUSEA OR VOMITING	Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD277-689,
rabbit	LDLo	subcutaneous	1410mg/kg (1410mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat	LDLo	oral	400mg/kg (400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 921, 1986.