Basic information
- Name:
2-Cyanoacetamide
- CAS No.:
107-91-5
- Molecular Structure:
- Formula:
- C3H4N2O
- Molecular Weight:
- 84.08 .
- Synonyms:
- Acetamide,cyano- (7CI);Malonamide nitrile;Propionamide, 3-nitrilo-;Malonic acid, monoamide mononitrile;Kyanacetamid;cyanoiminoaceticacid;Cyanacetamide;amidkyselinykyanoctove;3-Nitrilo-propionamide;2-cyano-acetamid;
- EINECS:
- 203-531-8
- Density:
- 1.163 g/cm3
- Melting Point:
- 119-121 °C(lit.)
- Boiling Point:
- 351.2 °C at 760 mmHg
- Flash Point:
- 215 °C
- Solubility:
- soluble in water
- Appearance:
- white to light cream crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38-20/21/22
- Safety Description:
- 22-26-28A Details
- Transport Information:
- UN 3439 6.1/PG 3
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Chemistry
Molecular Structure of 2-Cyanoacetamide (CAS NO.107-91-5):
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IUPAC Name: 2-cyanoacetamide
Molecular Formula: C3H4N2O
Molecular Weight: 84.08
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 44.1 Å2
Index of Refraction: 1.45
Molar Refractivity: 19.42 cm3
Molar Volume: 72.2 cm3
Surface Tension: 51.9 dyne/cm
Density: 1.163 g/cm3
Flash Point: 215 °C
Enthalpy of Vaporization: 59.59 kJ/mol
Boiling Point: 351.2 °C at 760 mmHg
Vapour Pressure: 4.17E-05 mmHg at 25°C
EINECS: 203-531-8
Melting Point: 119-121 °C(lit.)
Water Solubility: soluble
Merck: 14,2688
BRN: 878221
Product Categories: Pharmaceutical Intermediates; AmidesDerivatization Reagents HPLC; Amines, Amides and Derivatives; Carbonyl Compounds; Fluorescence; Organic Building Blocks
Uses
2-Cyanoacetamide (CAS NO.107-91-5) can used for process for producing 2,6-dihydroxy-3,4-dimethlpridine. The process includes reacting 2-cyanoacetamide with sodium methoxide followed by condensation with ethyl 2-methylacetoacetate in methanol to give the sodium salt of 2,6-dihydroxy-4,5-dimethyl-3-pyridinecarbonitrile. The sodium salt of 2,6-dihydroxy-4,5-dimethyl-3-pyridinecarbonitrile is hydrolyzed with hydrobromic acid and decarboxylated to the hydrobromide salt of 2,6-dihydroxy-3,4-dimethylpyridine. The desired 2,6-dihydroxy-3,4-dimethylpyridine is produced from the hydrobromide salt by neutralizing the same with sodium hydroxide.
Toxicity Data With Reference
| 1. | orl-mus LD50:1680 mg/kg | KHZDAN Khigiena i Zdraveopazvane. 9 (1966),50. | ||
| 2. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-689 . | ||
| 3. | scu-gpg LD50:1155 mg/kg | MELAAD Medicina del Lavoro. Industrial Medicine. 47 (1956),192. |
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx and CN−.
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38-20/21/22
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: 22-26-28A
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 3439 6.1/PG 3
WGK Germany: 2
PackingGroup: III
Specification
2-Cyanoacetamide , with CAS number of 107-91-5, can be called 2-cyano-acetamid ; 3-Nitrilo-propionamide ; Amid kyseliny kyanoctove ; amidkyselinykyanoctove ; Cyanacetamide ; cyanoiminoaceticacid ; Kyanacetamid ; Malonic acid, monoamide mononitrile ; Propionamide, 3-nitrilo- ; Malonamide nitrile . It is a white to light cream crystalline powder, 2-Cyanoacetamide (CAS NO.107-91-5) is commonlu used as the intermediates for medicine, dyes and electroplating solution.
