Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
아조비스이소부티로니트릴
2,2'-아조비스(아이소뷰티로나이트릴) · 아조비스이소부티로니트릴 · 아조디이소부티로니트릴 · 알파,알파'-아조비스이소부틸니트릴 · 2,2’-아조비스 · AIBN · AZOBISISOBUTYRONITRILE · 2,2'-Azobis(2-methylpropionitrile)
식별자 및 물리적 특성
| CAS No. | 34241-39-9 |
|---|---|
| 분자식 | C8H12N4 |
| 평균 분자량 | 164.21 g/mol |
| 단동위원소 질량 | 164.10619638 g/mol |
| SMILES | CC(C)(C#N)N=NC(C)(C)C#N |
| InChIKey | OZAIFHULBGXAKX-UHFFFAOYSA-N |
| PubChem CID | 6547 |
| ChEMBL | CHEMBL1886625 |
| ChEBI | CHEBI:189360 |
| EC No. | 201-132-3 |
| DTXSID | DTXSID1026457 |
| 현지명 | 아조비스이소부티로니트릴 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 72.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 251 |
| 물질 분류 | Nitrogen Compounds -> NitrilesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 1.1 g/cm³1.11 |
| Color/Form | CRYSTALS FROM ETHANOL + WATERWHITE POWDER |
| 용해도 | SOL IN METHANOL @ 0, 20, 40 °C: 1.8, 4.96, 16.06 G/100 MLSOL IN ETHANOL @ 0, 20, 40 °C: 0.58, 2.04, 7.15 G/100 MLINSOL IN WATERSOL IN MANY ORG SOLVENTSSOL IN VINYL MONOMERSSolubility in water at 20 °C: none클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 녹는점 | 221 °F (105 °C)102-104 °C (dec.)(lit.) |
| 증기압 | 0.0067 [mmHg]Vapor pressure, Pa at 20 °C:0.81Pa at 24.85℃ |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Insoluble in water and denser than water. Moderately toxic by ingestion. Readily ignited by sparks or flames. Burns intensely and persistently. Toxic oxides of nitrogen produced during combustion. Used as a catalyst, in vinyl polymerizations and a blowing agent for plastics.Dry PowderOther SolidLarge CrystalsCBIWhite solid[ICSC] Fine white crystals[MSDSonline]WHITE POWDER. |
| 자연 발화 온도 | 147 °F (64 °C) |
| Other Experimental Properties | DECOMPOSES @ 107 °C |
| 끓는 점 | 281.68°C (rough estimate) |
| 굴절률 | n20/D1.495 |
| 인화점 | 4℃ |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| 색상 | 에탄올에서 결정이 형성됨 |
| 냄새 | 냄새 없는 |
| 용해도 | 불용성 |
| 비열 | Cp(crystal): 1.45 J/(g·K), at 25℃ |
| Merck | 13,920 |
| BRN | 1708400 |
| 헨리 상수 | 2.4×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 안정성 | 안정성 가연성 고체. 충격에 민감합니다. 열적으로 불안정합니다. 아세톤이나 헵탄과 결합하면 폭발할 수 있습니다. 산화제와 호환되지 않습니다. |
| InChI | 1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3/b12-11+ |
| InChIKey | OZAIFHULBGXAKX-VAWYXSNFSA-N |
| SMILES | CC(C)(\N=N\C(C)(C)C#N)C#N |
| LogP(분배 계수) | 1.1 at 25℃ |
| NIST | 2,2'-Azo-bis-isobutyronitrile(78-67-1) |
| EPA | Azobis(isobutyronitrile) (78-67-1) |
안전 및 규제
| GHS 분류 | DangerH242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P330, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures |
|---|---|
| 규제 정보 | Chemical: Propanenitrile, 2,2'-azobis[2-methyl-Propanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14322Propanenitrile, 2,2'-azobis(2-methyl)-: HSNO Approval: HSR001429 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 - Propanenitrile, 2,2'-azobis[2-methyl-: Human health tier I assessment |
| 운송 라벨(DOT) | Flammable Solid |
| 화재 위험 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:Highly flammable. Finely dispersed particles form explosive mixtures in air. Risk of fire and explosion when dissolving in organic solvents. Explosive. |
| 건강 유해성 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 유해성 요약 | Forms hydrogen cyanide in the body[Merck Index] Decomposed by warming forming toxic fumes such as tetramethylsuccinonitrile and cyanideMay decompose explosively from heating, shock, friction, or concussionMay cause CNS and liver effects[ICSC] May form explosive mixture of dust in airMay self-decompose or self-ignite from heat, chemical reaction, or impact[CAMEO] Effects in high-dose animal studies include toxicity to liver and kidneys[eChemPortal: SIDSUNEP] Highly flammableMay explode from shock, friction, fire, or other source of ignitionMay cause irritationTargets the CNS, liver, and kidneys[MSDSonline] See NITRILES. |
| 반응성 그룹 | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| EC 분류 | Symbol: E, XnR: 2-11-20/22-52/53S: (2)-39-41-47-61 |
| UN 분류 | UN Hazard Class: 4.1 |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. Self-accelerating decomposition may occur if the specific control temperature is not maintained. These materials are particularly sensitive to temperature rises. AZODIISOBUTYRONITRILE is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. |
| Chemical Dangers | Decomposes on warming. This produces toxic fumes of tetramethylsuccinonitrile (see ICSC 1121) and cyanide. May decompose explosively on shock, friction or concussion. May explode on heating. Reacts violently with alcohols, oxidants, ketones such as acetone, aldehydes and hydrocarbons such as heptane. This generates fire and explosion hazard. |
| 소화 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]:Use water in large amounts, water spray. In case of fire: keep drums, etc., cool by spraying with water. |
| 응급 조치 | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Give a slurry of activated charcoal in water to drink. Refer for medical attention . |
| 응급 처치 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 안전 보관 | Fireproof. Cool. Separated from strong oxidants and incompatible materials. See Chemical Dangers. |
| 비화재 누출 대응 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 누출 처리 | Consult an expert! Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Remove all ignition sources. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. |
| Isolation and Evacuation | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Do NOT expose to friction or shock. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. Prevent build-up of electrostatic charges (e.g., by grounding). |
| Inhalation Risk | Evaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 노출 경로 | The substance can be absorbed into the body by ingestion. |
| Signs and Symptoms | Headache. Nausea. Weakness. Convulsions. |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. The substance may cause long-term effects in the aquatic environment. |
| Human Toxicity Excerpts | MAY BE TOXIC BY INGESTION. |
| Probable Routes of Human Exposure | ...IS TOXIC, & RELEASES NITROGEN GAS & RESIDUE OF TETRAMETHYL SUCCINIC DINITRILE, WHICH PERSISTS IN FOAM. THIS COMPD...HAS BEEN BELIEVED TO BE CAUSE OF HEADACHE, NAUSEA, & OTHER ILL-DEFINED SYSTEMIC COMPLAINTS IN WORKERS. |
| Toxicity Data | LC (rat) > 12,000 mg/m3/4h |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UG0800000 |
| 운송 번호(UN) | UN 3234 4.1 |
| 독성 | LDLo orl-rat: 670 mg/kg 34ZIAG 0,117,69 |
| 관세 코드 | 29269090 |
| 위험 문구(R) | 2-11-20/22-52/53-67-65-48/20-38-63-66-36 |
| 위험 표시 | E,Xn,F,Xi |
| 안전 문구(S) | 39-41-47-61-62-36/37-16-26 |
| 포장분류 | II |
| 위험 등급 | 4.1Aquatic Chronic 3Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2STOT SE 3 |
| 기존화학 물질 | KE-01998 |
| F 고인화성물질 | 4.4 |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 78-67-1(Hazardous Substances Data) |
용도
용도
정확하게는 2,2'(또는 α, α')-아조비스이소부틸로니트릴이라 한다. mw 164.21 mp 106℃ (분해) 라디칼 중합개시제로서 가장 많이 사용하는 아조화합물인 동시에 폴리염화비닐이다. 폴리스틸렌 등의 분해 발포제로서도 중요하다.
용도
Used as an initiator in the synthesis of highly cross-linked Poly(divinylbenzene) (PDVB) polymers. 1 Used as an initiator in the polymerization process of 2-hydroxyethyl methacrylate (HEMA). 2
일반 설명
Insoluble in water and denser than water. Moderately toxic by ingestion. Readily ignited by sparks or flames. Burns intensely and persistently. Toxic oxides of nitrogen produced during combustion. Used as a catalyst, in vinyl polymerizations and a blowing agent for plastics.