기본 정보
- 표준 SMILES
CCC(C)(C#N)N=NC(C)(C#N)CC- InChIKey
AVTLBBWTUPQRAY-UHFFFAOYSA-N- 분자식
- C10H16N4
- 평균 분자량
- 192.26 g/mol
- 단동위원소 질량
- 192.13749651
개요
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.
이름 및 식별자
- 우선 이름
- 2,2'-Azobis(2-methylbutyronitrile)
- IUPAC
- 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile
- 현지명
- 2,2'아조디-2-메틸부티로니트릴
- 영어명
- 2,2'-Azodi(2-methylbutyronitrile)
- 분자식
- C10H16N4
- 분자량
- 192.26
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13472-08-7- PubChem CID
- 93079
- DTXSID
DTXSID8027747- ChEMBL
CHEMBL3182601- UNII
- 5DCY6GCZ6V
- EC Number
- 236-740-8
- Nikkaji
- J248.387D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 72.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 284
실험 및 물리화학적 성질
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 Crystals; CBI
물리화학적 성질
- 녹는점
- 49 · 49-52 °C
- 끓는 점
- 318.25 °C · 318.25°C (rough estimate)
- 밀도
- 1.1 · 1.1
- 증기압
- 0.354 Pa · 0.354Pa at 25℃
- 굴절률
- 1.491 · 1.4910 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 392 mg/L · 392mg/L at 20℃
- Henry's Law Constant
- 4.5 · 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
- 2.07 at · 2.07 at 20℃
- EPA
- 2 · 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7)
화학적 성질
solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (6 of 990) of reports.
Danger
H225 (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.
유해성 정보
Regulatory Information
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/5486
Butanenitrile, 2-methyl, 2,2 azorbis: Does not have an individual approval but may be used under an appropriate group standard
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.
안전 및 보호
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- EK4818750
- ridadr
- UN 3236 4.1
- 독성
- LD50 orl-rat: 982 mg/kg NTIS** OTS0540633
- HS 번호
- 29270000
- risk_code
- 11-22-2017/11/22
- hazard_code
- F,Xn
- safety_code
- 47-36/37/39-24/25-16
- 포장분류
- II
- 위험 등급
- 4.1
- 기존화학 물질
- KE-01997
- F 고인화성물질
- 4.4
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Material and Resin Manufacturing
Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-: ACTIVE
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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