Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2'아조디-2-메틸부티로니트릴
2,2'아조디-2-메틸부티로니트릴 · 2,2'-아조비스(2-메틸부티로나이트릴) · 2,2‘-아조다이-(2-메틸뷰티로나이트릴) · AMBN · v59 · butyronitriL · 2,2'-azobis(2-methylbutyronitrile) · ABMN
식별자 및 물리적 특성
| CAS No. | 13472-08-7 |
|---|---|
| 분자식 | C10H16N4 |
| 평균 분자량 | 192.26 g/mol |
| 단동위원소 질량 | 192.13749651 g/mol |
| SMILES | CCC(C)(C#N)N=NC(C)(C#N)CC |
| InChIKey | AVTLBBWTUPQRAY-UHFFFAOYSA-N |
| PubChem CID | 93079 |
| ChEMBL | CHEMBL3182601 |
| EC No. | 236-740-8 |
| DTXSID | DTXSID8027747 |
| 현지명 | 2,2'아조디-2-메틸부티로니트릴 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 72.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 284 |
| Physical Description | 2,2'-azodi-(2-methylbutyronitrile) appears as an odorless white powdered solid. May burst into flames upon exposure to fire or high heat. Dust may form an explosive mixture in air.Large CrystalsCBI |
| 녹는점 | 49-52 °C |
| 끓는 점 | 318.25°C (rough estimate) |
| 밀도 | 1.1 |
| 증기압 | 0.354Pa at 25℃ |
| 굴절률 | 1.4910 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 392mg/L at 20℃ |
| 헨리 상수 | 4.5×104 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 폭발물. 충격을 받거나 땅에 닿거나 가열되면 폭발 위험이 있습니다. 가연성이 높습니다. 강한 산화제와 호환되지 않습니다. |
| InChI | InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3 |
| InChIKey | AVTLBBWTUPQRAY-UHFFFAOYSA-N |
| SMILES | N(C(C)(CC)C#N)=NC(C)(CC)C#N |
| LogP(분배 계수) | 2.07 at 20℃ |
| EPA | 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7) |
화학적 성질
solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.6% (6 of 990) of reports.DangerH225 (17.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P235, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 990 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Butanenitrile, 2,2'-azobis[2-methyl-Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5486Butanenitrile, 2-methyl, 2,2 azorbis: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Butanenitrile, 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)]: |
| 건강 유해성 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 반응성 그룹 | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| 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. 2,2'-AZODI-(2-METHYLBUTYRONITRILE) 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. |
| Air and Water Reactions | Dust may form an explosive mixture in air. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (17.8%) |
| 소화 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 응급 처치 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EK4818750 |
| 운송 번호(UN) | UN 3236 4.1 |
| 독성 | LD50 orl-rat: 982 mg/kg NTIS** OTS0540633 |
| 관세 코드 | 29270000 |
| 위험 문구(R) | 11-22-2017/11/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 47-36/37/39-24/25-16 |
| 포장분류 | II |
| 위험 등급 | 4.1 |
| 기존화학 물질 | KE-01997 |
| F 고인화성물질 | 4.4 |