Methyl Cyanoacetate CAS 105-34-0, Methyl Cyanoacetate, CAS 105-34-0
Molecular formula: C₄H₅NO₂,Molecular weight: 99.09,Appearance: Colorless to slightly yellow transparent liquid with a special odor.
105-34-0
C4H5NO2
99.09
| CAS | 105-34-0 |
| Molecular formula | C4H5NO2 |
| Molecular weight | 99.09 |
| EIENCS | |
| Form | Liquid |
| Melting point | -13°C |
| boling point | 204-207°C |
| Density | 1.123 g/mL at 25°C |
| Solubility | 54g/l |
| PKA | 2.75±0.10(Predicted) |
| Color | Clear colorless to very slightly yellow |
| Storage temp | Sealed in dry,Room Temperature |
Molecules and Structures
Molecular formula: C₄H₅NO₂
Molecular weight: 99.09
Appearance: Colorless to slightly yellow transparent liquid with a special odor.
Solubility: Slightly soluble in water (54 g/L, 20℃), miscible with ethanol, ether and benzene, insoluble in aliphatic hydrocarbons.
Physicochemical parameters
Melting and boiling points: Melting point -22.5℃ (or -13℃), boiling point 204-207℃ (at normal pressure).
Density and refractive index: Density 1.1225 g/cm³ (at 20℃), refractive index 1.417 (at 20℃).
Flash point and hazard: Flash point 110-113℃, flammable, vapor density 3.41 (air =1), can explode when exposed to open flames or oxidants.
Synthesis of pharmaceuticals and pesticides
Pharmaceutical intermediates: synthetic vitamin B₆, antiepileptic drug gabapentin, anticancer drug pemetrexed impurities.
Pesticide intermediates: Preparation of sulfonylurea herbicides (such as 2-amino-4, 6-dimethoxylpyrimidine).
Industrial adhesive
Fast-drying adhesive synthesis: Production of α -cyanoacrylate methyl ester (medical 501 instant adhesive), used in automotive parts and home appliance assembly.
Functional Materials and scientific research
Dye intermediates: Synthetic ultraviolet absorbers and photographic chemicals.
Organic synthesis: Participates in the Knovenagel condensation reaction to generate aryl methylene malonitrile compounds.
Toxicity data
Acute toxicity: Oral LD₅₀ 400-800 mg/kg in guinea pigs, oral LD₅₀ 2800 mg/kg in rats; Skin contact can cause dermatitis, and long-term exposure can damage the liver and kidneys.
Irritation: Strong irritation to the eyes and respiratory tract. Contact can cause pain and blurred vision.
Operation protection
Essential equipment: Gas mask, chemical protective suit, nitrile gloves, goggles (safety terminology S24/25).
Leakage treatment: After the sand and soil are adsorbed, they should be incinerated as hazardous waste. Flushing is strictly prohibited (to prevent diffusion).
Storage and Transportation
Packaging: Sealed in aluminum or plastic drums, 200kg per drum.
Conditions: Cool and well-ventilated (≤25℃), away from light and moisture, and keep away from oxidants/strong acids.
Hazard marking: UN 3276 (Class 6.1), Dangerous goods Marking Xi (Irritant).
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