2,2'-아조비스-(4-메톡시-2,4-디메칠 발레로니트릴)

2,2'-Azobis(2,4-dimethyl-4-methoxyvaleronitrile)

HCID 85867CAS 15545-97-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(C)(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)(C)OC
InChIKey: PFHOSZAOXCYAGJ-UHFFFAOYSA-N
분자식: C16H28N4O2
평균 분자량: 308.42 g/mol
단동위원소 질량: 308.22122614

개요

See also: 2,2'-Azodi-(2,4-dimethyl-4-methoxyvaleronitrile) (annotation moved to).

이름 및 식별자

우선 이름: 2,2'-Azobis(2,4-dimethyl-4-methoxyvaleronitrile)
IUPAC: 2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
현지명: 2,2'-아조비스-(4-메톡시-2,4-디메칠 발레로니트릴)
영어명: 2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)
분자식: C16H28N4O2
분자량: 308.42

이름 및 동의어

2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)YTJ97D23192,2'-azobis(2,4-dimethyl-4-methoxyvaleronitrile)VAZO-33DTXSID90864597Pentanenitrile, 2,2'-(1,2-diazenediyl)bis(4-methoxy-2,4-dimethyl-2,2'-azobis[4-methoxy-2,4-dimethylvaleronitrile]VALERONITRILE, 2,2'-AZOBIS(4-METHOXY-2,4-DIMETHYL-Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl-2,2'-(1,2-DIAZENEDIYL)BIS(4-METHOXY-2,4-DIMETHYLPENTANENITRILE)RefChem:440193DTXCID60813097

이름 더 보기

2,2'-아조비스-(4-메톡시-2,4-디메칠발레로니트릴)2,2'-아조비스-(4-메톡시-2,4-디메틸발레로니트릴)2,2'-아조다이-(2,4-다이메틸-4-메쏘옥시발로니트릴)2,2'-아조비스(4-METHOXY-2,4-DIMETHYLVALERONITRILE)v70V-70LEinecs 239-593-82，2'-AZOBIS(4-METHOXY-2，4-DIMETHYLVALERO2,2’-azobis[4-methoxy-2,4-dimethyl-pentanenitril2,2′-Azobis(2,4-dimethyl-4-methoxyvalero-nitrile)Pentanenitrile, 2,2'-azobis[4-methoxy-2,4-dimethyl-2,2'-(diazene-1,2-diyl)bis(4-methoxy-2,4-dimethylpentanenitrile)

15545-97-82-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile2-2'-azobis(4-methoxy-2,4-dimethylvaleronitrile)2,2'-Azobis(4-methoxy-2,4-dimethylpentanenitrile)Pentanenitrile, 2,2'-azobis(4-methoxy-2,4-dimethyl-2,2'-Azobis[4-methoxy-2,4-dimethylpentanenitrile]V 70UNII-YTJ97D2319

데이터베이스 식별자

CAS: 15545-97-8
PubChem CID: 85867
DTXSID: DTXSID90864597
UNII: YTJ97D2319
EC Number: 239-593-8
Nikkaji: J38.147K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 90.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 22
형식 전하: 0
복잡도: 463

실험 및 물리화학적 성질

Physical DescriptionWet Solid

물리화학적 성질

녹는점: 85 ℃approximate · approximate 85℃approximate 85℃(decomposition)
끓는 점: 389.8 · 389.8±42.0 °C(Predicted)
밀도: 0.96 · 0.96±0.1 g/cm3(Predicted)
증기압: 3.55 Pa · 3.55Pa at 25℃
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 873.4 mg/L · 873.4mg/L at 20℃
LogP: 2.3 at · 2.3 at 25℃
EPA: 2 · 2,2'-Azobis[4-methoxy-2,4-dimethylpentanenitrile] (15545-97-8)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P273, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

유해성 정보

Regulatory Information · 2건

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl- 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: 26-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27130

Hazard Classes and Categories · 2건

Self-react. D (100%)

Self-reactive substances and mixtures - Type D