Isoamyl nitrite3-Methylbutyl Nitrite
Isopentyl nitrite
CAS: 110-46-3
Molecular Formula: C5H11NO2
Isoamyl nitrite3-Methylbutyl Nitrite - Names and Identifiers
| Name | Isopentyl nitrite |
| Synonyms | Amyl nitrite Isoamyl nitrite sopentyl nitrite Iso-Amyl nitrite Isopentyl itrite Isopentyl nitrite 3-Methylbutyl nitrite amyl nitrite, mixed isomers Nitrous acid 3-methylbutyl ester Isoamyl nitrite3-Methylbutyl Nitrite Nitrite isoaMyl acetate (110-46-3) - 2 ISOPENTYL NITRITE EXTRA PURE STABILIZED (2E)-2-(hydroxyimino)-1-phenylpropan-1-one |
| CAS | 110-46-3 |
| EINECS | 203-770-8 |
| InChI | InChI=1/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+ |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N |
Isoamyl nitrite3-Methylbutyl Nitrite - Physico-chemical Properties
| Molecular Formula | C5H11NO2 |
| Molar Mass | 117.15 |
| Density | 0.872g/mLat 25°C(lit.) |
| Boling Point | 99°C(lit.) |
| Flash Point | 50°F |
| Vapor Presure | 35-59.995hPa at 20-25℃ |
| Appearance | Liquid |
| Color | Clear yellow |
| Merck | 14,5123 |
| BRN | 969510 |
| Storage Condition | Store at +15°C to +25°C. |
| Stability | Stability Unstable. Air and light sensitive. Flammable. Forms explosive mixtures with air or oxygen. Incompatible with oxidizing agents, reducing agents. |
| Sensitive | Air & Light Sensitive |
| Refractive Index | n20/D 1.386(lit.) |
| Physical and Chemical Properties | Light yellow clear liquid, boiling point of 99 ℃, relative density of 0.871(20/4 ℃), refractive index of 1.3871, flash point of 10 ℃. With alcohol, ether miscible, insoluble in water. There is fruit aroma. Volatile, light and air will be decomposed. |
| Use | Vasodilator, used in the treatment of angina pectoris, can also be used for cyanide poisoning |
Isoamyl nitrite3-Methylbutyl Nitrite - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S24 - Avoid contact with skin. S46 - If swallowed, seek medical advice immediately and show this container or label. |
| UN IDs | UN 1113 3/PG 2 |
| WGK Germany | 1 |
| RTECS | NT0187500 |
| FLUKA BRAND F CODES | 1-8-9 |
| TSCA | Yes |
| HS Code | 29209090 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 505 mg/kg |
Isoamyl nitrite3-Methylbutyl Nitrite - Reference Information
| LogP | 2.45-2.85 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| anti-anginal drugs | light yellow clear liquid, odor like ether, with fruit aroma. Volatile at room temperature, easy to burn. A few insoluble in water, can be mixed with ethanol, ether, chloroform or benzene. It decomposes when exposed to light and air. Isoamyl nitrite, also known as amyl nitrite and amyl nitrate, is an anti-angina drug with the fastest onset and the shortest duration. It is a nitrite short-acting vasodilator with similar pharmacological effects to nitroglycerin, which directly relaxes vascular smooth muscle, especially for small vascular smooth muscle, the whole body blood vessels are expanded, the peripheral resistance is reduced, the blood pressure is reduced, the venous return to the heart blood volume is reduced, and the cardiac output is reduced, thereby reducing the myocardial oxygen consumption, anti-angina pectoris, and effectively stimulating libido. Because of its rapid hydrolysis in the gastrointestinal tract, the product is ineffective by oral administration. Drugs usually used in clinic are made into a volatile liquid inhaler by pharmaceutical companies, which is absorbed rapidly in the lungs after inhalation, less than half a minute to work, the effect lasts only 3 to 10 minutes, its anti-angina effect is similar to nitroglycerin, However, the inhaled dose of this product is difficult to control, and the adverse reactions are large, which is its disadvantage. Because it often causes severe Head Pain, severe hypotension and tachycardia, it is rarely used in the clinical treatment of angina pectoris and biliary colic, and is gradually replaced by other nitrates. [precautions and adverse reactions] The common adverse reactions were Head Pain, facial flushing, hypotension and reflex tachycardia. The reaction of isoamyl nitrite was more severe than that of nitroglycerin. excessive dosage can cause hypotension and rapid heart rate, and aggravate the symptoms of angina pectoris. Heart rhythm and blood pressure should be closely observed during intravenous infusion. Because of the excessive production of methemoglobin and poisoning, the symptoms of cyanosis, Dyspnea and other symptoms of hypoxia, can be intravenous injection of 1% methylene blue first aid, while oxygen, blood transfusion. head trauma, cerebral hemorrhage, acute coronary artery embolism is contraindicated. coronary artery occlusion and increased intracranial pressure were contraindicated. |
| cyanide poisoning antidote | the same pharmacological effects as sodium nitrite, isoamyl nitrite is also an oxidant, it can make hemoglobin oxidize into high iron (Fe3) hemoglobin, combine with cyanide ion, generate cyanide methemoglobin, eliminate the invasion of cytochrome oxidase by free cyanide ion in blood, and can be combined with the cytochrome oxidase cyanide ion release, so that the enzyme activity and tissue respiratory function recovery, it is desirable to simultaneously use sodium thiosulfate to cause cyanide bound to methemoglobin to form a non-toxic thiocyanate (SCN-) group to be excreted from the body, thereby contributing to the treatment of cyanide poisoning. This product by inhalation administration, inhalation in the lungs after rapid absorption, 10~30 seconds after work, the role of maintenance of 3~5 minutes. For emergency treatment, sodium nitrite was injected intravenously after symptom improvement. |
| Use | for the synthesis of spices, drugs, diazo compounds. Can be used as oxidant, solvent. Isonitrate is a drug that is the fastest acting nitrite short-acting vasodilator. It can also be used as an antidote for hydrocyanic acid and its salts. for the synthesis of spices, drugs and diazo compounds, also used as oxidants, solvents for the synthesis of spices, drugs, diazo compounds. Can be used as oxidant, solvent. Isonitrate is a drug that is the fastest acting nitrite short-acting vasodilator. Can also be used as an antidote for hydrocyanic acid and its salts poisoning; Vasodilator, for the treatment of angina pectoris, can also be used for cyanide poisoning; For spices, drugs and the synthesis of diazo compounds, also used as oxidants, solvent |
| production method | is derived from the interaction of isoamyl alcohol and sodium nitrite. According to the actual production situation can have different operation method. 1. The reaction is carried out in a synthetic tube. Sodium nitrite aqueous solution, isoamyl alcohol and hydrochloric acid are respectively fed into a high-level tank. The sodium nitrite solution and hydrochloric acid solution are dripped into the synthesis pipeline at the same speed. After chlorine bubbles are generated in the pipeline, isoamyl alcohol is slowly added dropwise from the top of the pipeline, and the crude product is obtained by synthesis in the pipeline. After washing, drying, fractionation to obtain the finished product. 2. Reaction in the reaction tank, sodium nitrite, isoamyl alcohol and water were added to the reaction tank, stirred, and cooled to 5 ° C. Or less, and hydrochloric acid was added dropwise. After standing at 5 ° C. For 1H, the aqueous layer was removed, and the ester layer was washed with water, then with sodium carbonate solution, and then with water. The aqueous layer was separated, dehydrated with anhydrous sodium carbonate, and filtered. The filtrate was distilled and the 97-99 °c fraction was collected to obtain isoamyl nitrite. |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 505 mg/kg; Inhalation-mouse LC50: 1430 PPM/ 30 min |
| explosive hazard characteristics | thermal explosion |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; In case of light, heat-generated toxic nitric oxide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| spontaneous combustion temperature | 208°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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