Isobutyronitrile, also referred to as 2-Cyanopropane or isopropyl cyanide, is identified by CAS number 78-82-0 and has the molecular formula C4H7N, with a molar mass of 69.11 g/mol.
Isobutyronitrile, also known as 2-Cyanopropane or isopropyl cyanide, is a highly versatile organic compound with a range of important industrial applications. With the CAS number 78-82-0, it is primarily used as a key raw material in the production of pesticides, particularly as an intermediate in the synthesis of the widely used organophosphorus insecticide, diazinon. Additionally, Isobutyronitrile serves as a crucial intermediate in pharmaceutical manufacturing, further highlighting its importance in various sectors. Its ability to function as an effective intermediate makes it valuable in organic synthesis, including in the preparation of isobutyramidine, an essential component in pesticide production.
Isobutyronitrile is an organic solvent with a distinctive malodorous scent. It is used not only in agriculture but also in industries where organic synthesis plays a vital role. Its use as an insecticide and additive for acrylic resins showcases its diverse industrial value. The compound's properties and versatile applications make it an essential component for numerous manufacturing processes.
The product has a low density of only 0.770 g/mL (at 20℃), much lower than that of water. Its boiling point ranges from 107℃ to 108℃ (under normal pressure), and its melting point is as low as -72℃, making it highly volatile at room temperature. With a flash point of merely 8℃ (equivalent to 39°F), it is classified as a flammable liquid with a low flash point. Its relative vapor density is 2.38 (relative to air), so the vapor tends to accumulate in low-lying areas. It is highly prone to combustion or even flashback when exposed to open flames, high temperatures, or oxidizing agents, requiring special vigilance against fire risks.
It is slightly soluble in water (solubility of 35 g/L at 20℃) but can quickly dissolve in most organic solvents such as ethanol and ether, making it compatible with most organic synthesis reaction systems. Chemically stable, it poses no polymerization risk. However, contact with strong oxidizing agents, strong reducing agents, strong acids, or strong bases must be strictly avoided, as this may trigger violent reactions, affecting product purity or creating safety hazards.
It is a substance of moderate toxicity, with an acute oral LD₅₀ (Lethal Dose 50) of 50-100 mg/kg (in rats) and a dermal LD₅₀ of 310 mg/kg (in rabbits). It primarily causes poisoning by inhibiting respiratory enzymes, with symptoms including dizziness, convulsions, and respiratory depression. It has weak irritation to the skin and mucous membranes (only mild irritation was observed in rabbits with 380 mg applied to the skin in an open test), but full personal protection is still required throughout the process.
As a key organic synthesis intermediate, isobutyronitrile is mainly used in industrial production, with specific application scenarios as follows:
It is an indispensable intermediate for the production of the organophosphorus insecticide "Diazinon" (commonly known as Basudin). It can be directly used to synthesize 2-Isopropyl-4-methyl-6-hydroxypyrimidine, a key precursor of Diazinon, and also serves as a raw material for the synthesis of "Isobutyramidine"—another important intermediate of Diazinon—supporting the large-scale production of high-efficiency and low-toxicity pesticides.
It participates in the structural construction of various drug molecules. Leveraging the reactivity of its cyano group (-CN), it acts as a "carrier for functional group transformation" in the synthesis of specific antibacterial and anti-inflammatory drugs, providing basic chemical raw material support for pharmaceutical R&D and production.
It is used in the modification and processing of acrylic resins. As an additive, it can adjust the degree of polymerization and mechanical properties of the resin, improving the weather resistance and stability of resin products. It is widely applicable to macromolecular material scenarios such as coatings and adhesives.
It has a Dangerous Goods Number of 32161, a UN Number of 2284, and a Packing Group of O52 (Group II, medium hazard packaging). Hazard characteristic labels must be clearly marked on the outer packaging.
It is packaged in ampoules lined with ordinary wooden cases, or in combination packaging such as screw-cap glass bottles, crimp-cap glass bottles, plastic bottles/metal drums (cans) with ordinary wooden cases. The containers must be tightly sealed without leakage to isolate external moisture and impurities.
- Transport vehicles must be equipped with sufficient fire-fighting equipment (such as dry powder fire extinguishers, carbon dioxide fire extinguishers) and leakage emergency treatment equipment (such as adsorbent sand, explosion-proof pumps). In summer, transportation is recommended during low-temperature periods in the morning and evening.
- Tank trucks must be equipped with grounding chains, and baffle plates must be installed inside the tanks to reduce static electricity generated by vibration. Flame arresters must be installed on the exhaust pipes, and mechanical equipment that is prone to sparking is prohibited for loading and unloading.
- Mixed loading and transportation with oxidizing agents, reducing agents, acids, alkalis, and food chemicals is strictly prohibited. During transportation, protection against sunlight, rain, and high temperatures is required. When stopping midway, the vehicle must be kept away from ignition sources, heat sources, and densely populated areas.
- Road transportation must follow designated routes to avoid passing through residential areas; rail transportation prohibits free rolling, and bulk transportation using wooden boats or cement boats is prohibited.
What is Isobutyronitrile used for?
Isobutyronitrile is primarily used as an intermediate in organic synthesis. It plays an essential role in producing pesticides like diazinon and is also utilized in the pharmaceutical industry as a precursor for various compounds.
Is Isobutyronitrile toxic?
Yes, Isobutyronitrile is highly toxic and must be handled with care. Inhalation or skin contact can cause severe health issues. Always wear appropriate protective equipment when handling this substance.
How should Isobutyronitrile be stored?
Isobutyronitrile should be stored in cool, dry conditions in containers such as iron drums, with adherence to strict safety regulations during both storage and transportation.
What is the melting point and boiling point of Isobutyronitrile?
The melting point of Isobutyronitrile is -72°C, while its boiling point ranges from 107°C to 108°C.
Is Isobutyronitrile soluble in water?
No, Isobutyronitrile is insoluble in water but is soluble in ethanol and ether.
Isobutyronitrile, also referred to as 2-Cyanopropane or isopropyl cyanide, is identified by CAS number 78-82-0 and has the molecular formula C4H7N, with a molar mass of 69.11 g/mol.
Isobutyronitrile, also known as 2-Cyanopropane or isopropyl cyanide, is a highly versatile organic compound with a range of important industrial applications. With the CAS number 78-82-0, it is primarily used as a key raw material in the production of pesticides, particularly as an intermediate in the synthesis of the widely used organophosphorus insecticide, diazinon. Additionally, Isobutyronitrile serves as a crucial intermediate in pharmaceutical manufacturing, further highlighting its importance in various sectors. Its ability to function as an effective intermediate makes it valuable in organic synthesis, including in the preparation of isobutyramidine, an essential component in pesticide production.
Isobutyronitrile is an organic solvent with a distinctive malodorous scent. It is used not only in agriculture but also in industries where organic synthesis plays a vital role. Its use as an insecticide and additive for acrylic resins showcases its diverse industrial value. The compound's properties and versatile applications make it an essential component for numerous manufacturing processes.
The product has a low density of only 0.770 g/mL (at 20℃), much lower than that of water. Its boiling point ranges from 107℃ to 108℃ (under normal pressure), and its melting point is as low as -72℃, making it highly volatile at room temperature. With a flash point of merely 8℃ (equivalent to 39°F), it is classified as a flammable liquid with a low flash point. Its relative vapor density is 2.38 (relative to air), so the vapor tends to accumulate in low-lying areas. It is highly prone to combustion or even flashback when exposed to open flames, high temperatures, or oxidizing agents, requiring special vigilance against fire risks.
It is slightly soluble in water (solubility of 35 g/L at 20℃) but can quickly dissolve in most organic solvents such as ethanol and ether, making it compatible with most organic synthesis reaction systems. Chemically stable, it poses no polymerization risk. However, contact with strong oxidizing agents, strong reducing agents, strong acids, or strong bases must be strictly avoided, as this may trigger violent reactions, affecting product purity or creating safety hazards.
It is a substance of moderate toxicity, with an acute oral LD₅₀ (Lethal Dose 50) of 50-100 mg/kg (in rats) and a dermal LD₅₀ of 310 mg/kg (in rabbits). It primarily causes poisoning by inhibiting respiratory enzymes, with symptoms including dizziness, convulsions, and respiratory depression. It has weak irritation to the skin and mucous membranes (only mild irritation was observed in rabbits with 380 mg applied to the skin in an open test), but full personal protection is still required throughout the process.
As a key organic synthesis intermediate, isobutyronitrile is mainly used in industrial production, with specific application scenarios as follows:
It is an indispensable intermediate for the production of the organophosphorus insecticide "Diazinon" (commonly known as Basudin). It can be directly used to synthesize 2-Isopropyl-4-methyl-6-hydroxypyrimidine, a key precursor of Diazinon, and also serves as a raw material for the synthesis of "Isobutyramidine"—another important intermediate of Diazinon—supporting the large-scale production of high-efficiency and low-toxicity pesticides.
It participates in the structural construction of various drug molecules. Leveraging the reactivity of its cyano group (-CN), it acts as a "carrier for functional group transformation" in the synthesis of specific antibacterial and anti-inflammatory drugs, providing basic chemical raw material support for pharmaceutical R&D and production.
It is used in the modification and processing of acrylic resins. As an additive, it can adjust the degree of polymerization and mechanical properties of the resin, improving the weather resistance and stability of resin products. It is widely applicable to macromolecular material scenarios such as coatings and adhesives.
It has a Dangerous Goods Number of 32161, a UN Number of 2284, and a Packing Group of O52 (Group II, medium hazard packaging). Hazard characteristic labels must be clearly marked on the outer packaging.
It is packaged in ampoules lined with ordinary wooden cases, or in combination packaging such as screw-cap glass bottles, crimp-cap glass bottles, plastic bottles/metal drums (cans) with ordinary wooden cases. The containers must be tightly sealed without leakage to isolate external moisture and impurities.
- Transport vehicles must be equipped with sufficient fire-fighting equipment (such as dry powder fire extinguishers, carbon dioxide fire extinguishers) and leakage emergency treatment equipment (such as adsorbent sand, explosion-proof pumps). In summer, transportation is recommended during low-temperature periods in the morning and evening.
- Tank trucks must be equipped with grounding chains, and baffle plates must be installed inside the tanks to reduce static electricity generated by vibration. Flame arresters must be installed on the exhaust pipes, and mechanical equipment that is prone to sparking is prohibited for loading and unloading.
- Mixed loading and transportation with oxidizing agents, reducing agents, acids, alkalis, and food chemicals is strictly prohibited. During transportation, protection against sunlight, rain, and high temperatures is required. When stopping midway, the vehicle must be kept away from ignition sources, heat sources, and densely populated areas.
- Road transportation must follow designated routes to avoid passing through residential areas; rail transportation prohibits free rolling, and bulk transportation using wooden boats or cement boats is prohibited.
What is Isobutyronitrile used for?
Isobutyronitrile is primarily used as an intermediate in organic synthesis. It plays an essential role in producing pesticides like diazinon and is also utilized in the pharmaceutical industry as a precursor for various compounds.
Is Isobutyronitrile toxic?
Yes, Isobutyronitrile is highly toxic and must be handled with care. Inhalation or skin contact can cause severe health issues. Always wear appropriate protective equipment when handling this substance.
How should Isobutyronitrile be stored?
Isobutyronitrile should be stored in cool, dry conditions in containers such as iron drums, with adherence to strict safety regulations during both storage and transportation.
What is the melting point and boiling point of Isobutyronitrile?
The melting point of Isobutyronitrile is -72°C, while its boiling point ranges from 107°C to 108°C.
Is Isobutyronitrile soluble in water?
No, Isobutyronitrile is insoluble in water but is soluble in ethanol and ether.
