ChemicalBook--->CAS DataBase List--->107-91-5

107-91-5

107-91-5 Structure

107-91-5 Structure
IdentificationMore
[Name]

2-Cyanoacetamide
[CAS]

107-91-5
[Synonyms]

2-CAA
2-CYANOACETAMIDE
ACETAMIDE, 2-CYANO-
ALPHA-CYANOACETAMIDE
CYAC
CYANOACETAMIDE
CYANOACETIC AMIDE
LABOTEST-BB LT01406239
MALONAMIDONITRILE
2-cyano-acetamid
2-cyanoethanamide
3-Nitrilo-propionamide
Amid kyseliny kyanoctove
amidkyselinykyanoctove
Cyanacetamide
cyanoiminoaceticacid
Kyanacetamid
Malonamide nitrile
malonamidenitrile
Malonamonitrile
[EINECS(EC#)]

203-531-8
[Molecular Formula]

C3H4N2O
[MDL Number]

MFCD00008024
[Molecular Weight]

84.08
[MOL File]

107-91-5.mol
Chemical PropertiesBack Directory
[Definition]

A codon of glutamine that directs the placement of glutamine into a polypeptide.
[Appearance]

WHITE TO LIGHT CREAM CRYSTALLINE POWDER
[Melting point ]

119-121 °C(lit.)
[Boiling point ]

154.34°C (rough estimate)
[density ]

1,4 g/cm3
[refractive index ]

1.5110 (estimate)
[Fp ]

419 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

cold water: soluble1gm in 6.5ml
[form ]

Crystalline Powder
[pka]

-1.27±0.10(Predicted)
[color ]

White to light cream
[Odor]

Odorless
[Water Solubility ]

soluble
[Merck ]

14,2688
[BRN ]

878221
[InChI]

1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
[InChIKey]

DGJMPUGMZIKDRO-UHFFFAOYSA-N
[SMILES]

NC(=O)CC#N
[CAS DataBase Reference]

107-91-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetamide, 2-cyano-(107-91-5)
[EPA Substance Registry System]

2-Cyanoacetamide (107-91-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3439 6.1/PG 3
[WGK Germany ]

2
[RTECS ]

AB5950000
[TSCA ]

Yes
[REACH Registrations]

Active
[PackingGroup ]

III
[HS Code ]

29159080
[HS Code ]

29269095
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

107-91-5(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Ethyl cyanoacetate-->Methyl cyanoacetate
[Preparation Products]

Malononitrile-->2-Methylisonicotinic acid-->Buspirone-->3-aminopropanamide-->Milrinone-->2,2-Dibromo-2-cyanoacetamide-->3-Amino-6-methylthieno[2,3-b]pyridine-2-carboxamide-->6-Methyl-1H-pyrazolo[3,4-b]pyridin-3-amine-->2-Chloro-6-methylpyridine-4-carbonyl chloride-->2-Hydroxy-6-(trifluoromethyl)nicotinic acid-->4,7-Dihydro-4-oxo-3H-pyrrolo[2,3-d][1,2,3]triazine-5-carboxamide-->2,6-Dichloro-3-hydroxypyridine-4-carboxylic acid-->Methyl 3-amino-6-methylthiopheno[2,3-b]pyridine-2-carboxylate-->4-Aminopyrimidine-5-carboxamide-->3-Cyano-6-methyl-2(1H)-pyridinone-->5-Bromo-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine-->Ethyl 2-chloro-3-cyano-6-methylisonicotinate-->2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide-->2-Chloro-6-methylpyridine-4-carboxylic acid-->2-Chloro-6-methyl-3-pyridinecarbonitrile-->5-Bromo-2-chloro-4,6-dimethylnicotinonitrile-->2,4,6-Triaminopyrimidine-->2-Amino-5-phenyl-3-thiophenecarboxamide-->Allopurinol-->4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-amine-->1,4,6-Trimethyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine ,97%-->2-Chloro-3-cyano-4,6-dimethylpyridine-->Entacapone-->Disperse Yellow H-4GL-->2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide-->3-Cyano-4,6-dimethyl-2-hydroxypyridine-->2,4-Dicyano-3-methylglutaramide-->Olprinone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cyanoacetamide(107-91-5).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO LIGHT CREAM CRYSTALLINE POWDER
[Uses]

2-Cyanoacetamide was used in spectrofluorimetric method for the determination of some antihistaminic H1 receptor antagonist drugs such as ebastine, cetirizine dihydrochloride and fexofenadine hydrochloride. It may be used in fluorometric determination of 3,4-dihydroxyphenylalanine. It was used as post column fluorigenic derivatizing agent for the bio-analysis and pharmacokinetics of chitosan ester in rabbit serum. Cyanoacetamide is the starting reagent for vitamin B6 synthesis. It reacts with reducing carbohydrates in borate buffer to give intense fluorescence and is useful for the automated analysis of carbohydrates as borate complexes. It can also be used in the synthesis of heterocyclic compounds such as pyrazole, pyridine and pyrimidine derivatives. Moreover, it can also be applied for the spectrophotometric assay of the enzyme activity of cellulose in related host cells.
[Preparation]

Cyanoacetamide can be prepared from ethyl cyanoacetate and ammonia. Cool the ethyl cyanoacetate to below 200°C, add concentrated ammonia water to react, and the mixture turns from turbid to clear. After cooling in cold water for 20 minutes, a precipitate is precipitated. After filtration and drying, the crude product is obtained, and then the crude product of cyanoacetamide is added. In the boiling ethanol, after dissolving it, add a small amount of activated carbon for decolorization and purification, filter, cool the filtrate to separate out the precipitate, and dry it at 80-100 ℃ to obtain the fine cyanoacetamide.
[General Description]

Cyanoacetamide is the starting reagent for vitamin B6 synthesis. It reacts with reducing carbohydrates in borate buffer to give intense fluorescence andis useful for the automated analysis of carbohydrates as borate complexes.
[Purification Methods]

Crystallise the amide from MeOH/dioxane (6:4), then water and dry it over P2O5 under vacuum. [Beilstein 2 IV 1891.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Cyanoacetamide(107-91-5)MS
2-Cyanoacetamide(107-91-5)1HNMR
2-Cyanoacetamide(107-91-5)13CNMR
2-Cyanoacetamide(107-91-5)IR1
2-Cyanoacetamide(107-91-5)IR2
2-Cyanoacetamide(107-91-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Cyanoacetamide, 99%(107-91-5)
[Alfa Aesar]

Cyanoacetamide, 99%(107-91-5)
[Sigma Aldrich]

107-91-5(sigmaaldrich)
[TCI AMERICA]

2-Cyanoacetamide,>98.0%(T)(107-91-5)
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