ChemicalBook--->CAS DataBase List--->623-49-4

623-49-4

623-49-4 Structure

623-49-4 Structure
IdentificationMore
[Name]

Ethyl cyanoformate
[CAS]

623-49-4
[Synonyms]

CYANOFORMIC ACID ETHYL ESTER
ETHYL CYANOFORMATE
[(Cyanocarbonyl)oxy]ethane
C2H5OC(O)CN
carbocyanidicacidethylester
Carbonocyanidic acid, ethyl ester
carbonocyanidicacid,ethylester
Formic acid, cyano-, ethyl ester
Nitriloaceticacidethylester
Ethylcyanoformate,99%
Ethoxycarbonyl Cyanide
NSC 65347
[EINECS(EC#)]

210-797-9
[Molecular Formula]

C4H5NO2
[MDL Number]

MFCD00001836
[Molecular Weight]

99.09
[MOL File]

623-49-4.mol
Chemical PropertiesBack Directory
[Appearance]

Clear Colourless Liquid
[Boiling point ]

115-116 °C (lit.)
[density ]

1.003 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.381(lit.)
[Fp ]

76 °F
[storage temp. ]

Flammables area
[solubility ]

Miscible with chloroform and methanol.
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.01
[Sensitive ]

Moisture Sensitive
[BRN ]

635955
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
[InChIKey]

MSMGXWFHBSCQFB-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C#N
[CAS DataBase Reference]

623-49-4(CAS DataBase Reference)
[NIST Chemistry Reference]

NCCOOC2H5(623-49-4)
[EPA Substance Registry System]

623-49-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H226-H314
[Precautionary statements ]

P210-P280-P303+P361+P353-P305+P351+P338+P310
[Hazard Codes ]

T,F
[Risk Statements ]

R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3275 6.1/PG 2
[WGK Germany ]

3
[F ]

10-19-21
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29269090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

ethyl cyanoformate(623-49-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear Colourless Liquid
[Uses]

Ethyl cyanoformate is used as reagent in the preparation of N-substituted amindinoformic acid and ethyl-4-quinazoline -2-carboxylate.
[Application]

Ethyl cyanoformate can be used as a cyanide source for the cyanation of:
Activated olefins in the presence of a titanium catalyst.
Carbonyl compounds catalyzed by 4-dimethylaminopyridine (DMAP) to yield corresponding cyanohydrin carbonates under metal-free and solvent-free conditions.
Aldehydes and 2,2,2-trifluoroacetophenone catalyzed by N-heterocyclic carbene (NHC) to yield corresponding cyanohydrins ethyl carbonates.
Ethyl cyanoformate is a general cyanating agent. It can be used in the nucleophilic addition of cyanide to carbonyl compounds, oxidative cyanation of tertiary amines and in the synthesis of β-cyano-substituted acrylates from alkynes.
[Synthesis]

Ethyl cyanoformate was synthesized in the following steps: S1, clean the reactor, add 100KG S-1500 aromatic solvent in the reactor;

S2, add 695KG ethyl chloroformate and 175KG hydrocyanic acid in the drip kettle;

S3, add 30KG tr
[Purification Methods]

Dissolve the cyanoformate in Et2O, dry it over Na2SO4, filter, evaporate and distil it [Malachowsky et al. Chem Ber 70 1016 1937, Adickes et al. J Prakt Chem [2] 133 313 1932, Grundmann et al. Justus Liebigs Ann Chem 577 77 1952]. [Beilstein 2 IV 1862.]
[Precautions]

Moisture sensitive. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl cyanoformate(623-49-4)MS
Ethyl cyanoformate(623-49-4)1HNMR
Ethyl cyanoformate(623-49-4)13CNMR
Ethyl cyanoformate(623-49-4)IR1
Ethyl cyanoformate(623-49-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl cyanoformate, 99%(623-49-4)
[Alfa Aesar]

Ethyl cyanoformate, 99%(623-49-4)
[Sigma Aldrich]

623-49-4(sigmaaldrich)
[TCI AMERICA]

Ethyl Cyanoformate,>98.0%(GC)(623-49-4)
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