Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아질산 아이소아밀
아질산아이소아밀 · 이소아밀아질산염 · ISOPENTYL NITRITE · AMYL NITRITE · amyl · 3-METHYLBUTYL NITRITE · Aspiral · Isopentyl alcohol, nitrite
식별자 및 물리적 특성
| CAS No. | 110-46-3 |
|---|---|
| 분자식 | C5H11NO2 |
| 평균 분자량 | 117.15 g/mol |
| 단동위원소 질량 | 117.07897859 g/mol |
| SMILES | CC(C)CCON=O |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N |
| PubChem CID | 8053 |
| ChEMBL | CHEMBL1535371 |
| ChEBI | CHEBI:2691 |
| EC No. | 203-770-8 |
| DTXSID | DTXSID9025455 |
| 현지명 | 아질산 아이소아밀 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 63 |
| 냄새 | Penetrating fragrant, somewhat fruity odor |
| 맛 | Pungent, aromatic taste |
| 밀도 | 0.8528 at 68 °F (NTP, 1992) - Less dense than waterwill float0.875 @ 25 °CRelative density (water = 1): 0.8750.8828 @ 20°C0.872 g/mL at 25 °C(lit.) |
| Color/Form | Yellowish, transparent liquid |
| 용해도 | less than 0.1 mg/mL at 64 °F (NTP, 1992)MISCIBLE WITH ETHER, ALCOHOL, CHLOROFORMVery slightly soluble in waterSolubility in water: none클로로포름, 메탄올(약간)에 용해됨 |
| 인화점 | less than 69 °F (NTP, 1992)3 °C50 °F |
| 끓는 점 | 205 to 210 °F at 760 mmHg (NTP, 1992)99.2 °C97-99 °C99.2 °C @760 [mm Hg]99 °C(lit.) |
| 증기 밀도 | 4.0 (Air=1)Relative vapor density (air = 1): 4.0 |
| 증기압 | 26.3 [mmHg]Vapor pressure, kPa at 20 °C: 3.535-59.995hPa at 20-25℃ |
| 굴절률 | Index of refraction: 1.3918 @ 20 °Cn20/D 1.386(lit.) |
| Physical Description | Isoamyl nitrite is a clear yellow liquid. (NTP, 1992)Yellowish transparent liquid with a penetrating, somewhat fruity odorUnstable, decomposed by light and air[Merck Index] Colorless liquid[MSDSonline]YELLOW LIQUID WITH CHARACTERISTIC ODOUR. |
| Stability/Shelf Life | Unstable and decomposition on exposure to air and light.MOISTURE ACCELERATES DECOMP |
| 녹는점 | <-80°C |
| 저장 조건 | Store at +15°C to +25°C. |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 용해도 | 18°C에서 <0.01g/100mL |
| Merck | 14,5123 |
| BRN | 969510 |
| 안정성 | 불안정한. 공기와 빛에 민감합니다. 가연성. 공기 또는 산소와 폭발성 혼합물을 형성합니다. 산화제, 환원제와 호환되지 않습니다. |
| 주요 응용 | 진단 검사 제조혈액학조직학 |
| InChI | 1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3 |
| InChIKey | OWFXIOWLTKNBAP-UHFFFAOYSA-N |
| SMILES | CC(C)CCON=O |
| LogP(분배 계수) | 2.45-2.85 |
| NIST | Amyl Nitrite(110-46-3) |
| EPA | Isoamyl nitrite (110-46-3) |
화학적 성질
Isoamyl Nitrite is flammable and explosive and decomposes when exposed to air and sunlight.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]H302: Harmful if swallowed [Warning Acute toxicity, oral]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Status: Active Update: 26-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27335Status: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30183Nitrous acid, 3-methylbutyl ester: HSNO Approval: HSR001086 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Nitrous acid, 3-methylbutyl ester: Environment tier I assessmentIMAP assessments - Nitrous acid, 3-methylbutyl ester: Human health tier I assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | This chemical is flammable. (NTP, 1992)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapor explosion hazard indoors, outdoors or in sewers.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Runoff to sewer may create fire or explosion hazard.· Containers may explode when heated.· Many liquids will float on water.Highly flammable. Many reactions may cause fire or explosion. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. |
| 화재 가능성 | Moderate, when exposed to heat or flame or by spontaneous chemical reaction...can react with oxidizing...material.Caution--amyl nitrite is very flammable. Do not use where it may be ignited. |
| 건강 유해성 | SYMPTOMS: Exposure to this chemical can cause flushing of the skin, rapid pulse, headache, dizziness, weakness and a drop in blood pressure.ACUTE/CHRONIC HAZARDS: This chemical is readily absorbed through the skin. It forms explosive mixtures with airtherefore, all sources of ignition should be eliminated before opening the container. (NTP, 1992)· May cause toxic effects if inhaled or absorbed through skin.· Inhalation or contact with material may irritate or burn skin and eyes.· Fire will produce irritating, corrosive and/or toxic gases.· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.· Runoff from fire control or dilution water may cause environmental contamination. |
| 유해성 요약 | Flammable liquid that forms explosive mixture with air or oxygen[Merck Index] May be absorbed through skinCan induce methemoglobinemia[ICSC] Inhalation of one crushable ampule produces vasodilation and a methemoglobin level of about 5%. IV administration of a single dose produces a methemoglobin level of about 15-20%. IV administration can cause hypotension and potentially fatal methemoglobinemia[Olson, p. 592] |
| 운송 번호 및 가이드(DOT) | 1113 129 |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| EC 분류 | Symbol: F, XnR: 11-20/22S: (2)-16-24-46 |
| UN 분류 | UN Hazard Class: 3UN Pack Group: II |
| Reactivity Alerts | Highly Flammable |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)Use water spray, alcohol-resistant foam. In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position. |
| 응급 조치 | Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Refer for medical attention . |
| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.· All equipment used when handling the product must be grounded.· Do not touch or walk through spilled material.· Stop leak if you can do it without risk.· Prevent entry into waterways, sewers, basements or confined areas.· A vapor-suppressing foam may be used to reduce vapors.· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.· Use clean, non-sparking tools to collect absorbed material.Large Spill· Dike far ahead of liquid spill for later disposal.· Water spray may reduce vapor, but may not prevent ignition in closed spaces. |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. Volatile chemicals have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· Wash skin with soap and water. |
| 안전 보관 | Fireproof. Separated from strong oxidants. Cool. Well closed. |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA).· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. |
| 소화 절차 | Alcohol foam... |
| 보관 조건 | Amyl nitrite inhalant should be packaged in unit-dose containers, wrapped loosely in gauze or other suitable material, and stored at 2-15 °C. A stabilizer, such as diphenylamine or epoxolol, is added to the commercially available products. The drug should be protected from light.MATERIAL...STORED IN /COOL/ PLACES...PROVIDE ADEQUATE VENTILATION...LOCATE STORAGE AREA...AWAY FROM AREAS OF FIRE HAZARD... HIGHLY FLAMMABLE IE REDUCING OR EASILY OXIDIZED MATERIALS MUST BE KEPT APART FROM...OXIDIZING AGENTS, MATERIALS...SUSCEPTIBLE TO SPONTANEOUS HEATING... |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992) |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 누출 처리 | Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)Immediate precautionary measure· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.· Consider initial downwind evacuation for at least 300 meters (1000 feet).· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. |
| 상호 작용 | ...Its effect can be antagonized by any drug that can activate smooth muscle under consideration. Thus, nitrite is functional antagonist of norepinephrine, acetylcholine, histamine... /nitrite/ |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 노출 경로 | The substance can be absorbed into the body by inhalation and through the skin. |
| Signs and Symptoms | Blue lips, fingernails and skin. Confusion. Convulsions. Dizziness. Headache. Sweating. Nausea. Unconsciousness. Vomiting. Flushing of the face. Symptoms may be delayed.MAY BE ABSORBED!See Inhalation. |
| Human Toxicity Excerpts | /HUMAN EXPOSURE STUDIES/ Adverse effects from nitrate and nitrite overdosage are extensions of the pharmacologic action of the drugs, namely the capacity to induce vasodilation, venous pooling, reduced cardiac output, and hypotension. Nitrate and nitrite overdosage may result in severe hypotension, tachycardia, bradycardia, heart-block, palpitation, death secondary to circulatory collapse, confusion, fever, syncope (especially in upright posture), persistent throbbing headache, visual disturbances, increased intracranial pressure, paralysis, and coma followed by seizures, flushing and diaphoresis, cold and clammy skin, nausea and vomiting, colic and diarrhea, dyspnea, and methemoglobinemia. /Nitrates and nitrites//HUMAN EXPOSURE STUDIES/ Heart rate responses to inhalation of amyl nitrite by patient during acute adrenergic beta blockade with iv propranolol varied greatly from patient to patient but because of its marked hypotensive effect it proved to be very potent stimulus for heart rate incr. |
| Non-Human Toxicity Excerpts | /LABORATORY ANIMALS: Acute Exposure/ Inhalation of small amt of vapor causes ...in some... animals slight momentary rise in intraocular pressure./LABORATORY ANIMALS: Acute Exposure/ Liq amyl nitrite tested on normal rabbit eyes causes only slight superficial injury./GENOTOXICITY/ Isoamyl nitrite was found to be positive when tested for mutagenicity using the Salmonella/microsome preincubation assay, using the standard protocol approved by the National Toxicology Program (NTP). Isoamyl nitrite was tested in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat and hamster liver S-9, at doses of 0.010, 0.033, 0.100, 0.333, 1.000, 3.333, and 6.666 mg/plate. The lowest positive dose tested in any S. typhimurium strain was 0.100 mg/plate in strain TA1535 with 10% rat liver S-9. Slight to total clearing of the background bacterial lawn was exhibited in cultures containing the two highest doses. |
| Antidote and Emergency Treatment | Emergency and supportive measures: Maintain an open airway and assist ventilation if necessary. Administer supplemental oxygen. Treat hypotension with supine positioning. Intravenous crystalloid fluids, and low-dose pressors if needed. Monitor vital signs and ECG for 4-6 hours. /Nitrates and nitrites/Specific drugs and antidotes: Symptomatic methemoglobinemia may be treated with methylene blue. /Nitrates and nitrites/Decontamination: Inhalation: Remove victims from exposure and administer supplemental oxygen if available. Skin and eyes: Remove contaminated clothing and wash with copious soap and water. Irrigate exposed eyes with water or saline. Ingestion: Prehospital: Administer activated charcoal if available. Hospital: Administer activated charcoal. Gastric emptying is not necessary for small ingestions if activated charcoal can be given promptly. /Nitrates and nitrites/Enhanced elimination: Hemodialysis and hemoperfusion are not effective. Severe methemoglobinemia in infants not responsive to methylene blue therapy may require exchange transfusion. /Nitrates and nitrites/ |
| Toxicity Data | LC50 (rat) = 716 ppm/4h |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | NT0187500 |
| 운송 번호(UN) | UN 1113 (AMYL NITRITE) |
| 독성 | LD50 orally in Rabbit: 505 mg/kg |
| 관세 코드 | 29209090 |
| 위험 문구(R) | 11-20/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-24-46 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Muta. 2Skin Corr. 1BSkin Sens. 1 |
| F 고인화성물질 | 1-8-9 |
| 자연 발화 온도 | 208 °C |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 110-46-3(Hazardous Substances Data) |
용도
용도
의약품 중간체, 합성 물질 중간체.
개요
Amyl nitrite had been used clinically as early as 1867, when the Scottish physician Sir Thomas Brunton used it as a vasodilator as treatment for angina pectoris in his patients. In the late 1880s, a protective effect on cyanide toxicity in canines was noted when amyl nitrite was inhaled postexposure. Amyl nitrite has been used clinically in a multicomponent cyanide antidote kit and is also a recreational drug of abuse (‘poppers’).
용도
Isoamyl nitrite is a light yellow, transparent liquid with a pleasant, fragrant, fruity odor. Amyl nitrite was introduced to medicine in 1859 and has been under considerable pharmacological investigation since that time. Its major use was for treating angina pectoris through its vasodilative effect on the coronary arteries. However, this effect is transient, and nitroglycerin and longer acting nitrates have largely replaced it. Amyl nitrite has been most helpful in clarifying the differential diagnosis of murmurs. For example, left ventricular outflowobstruction increases followingamyl nitrite administration. Mitral regurgitation decreases following amyl nitrite as does the apical diastolic rumble of mitral stenosis. The Austin–Flint rumble decreases followingamyl nitrite as does a ventricular septal defect and acyanotic tetralogy of Fallot. Pulmonic stenosis increases as does isolated valvular pulmonary stenosis following amyl nitrite. Isoamyl nitrite has also been reportedly used for inhalation abuse. The symptoms following inhalation of large doses by humans are flushing of the face, pulsatile headache, disturbing tachycardia, cyanosis (methemoglobinemia), weakness, confusion, restlessness, faintness, and collapse, particularly if the individual is standing. The symptoms are usually of short duration. Industrial intoxication has not been reported.
일반 설명
Clear yellow liquid.