2,2'-アゾビス-(4-メトキシ-2,4-ジメチルバレロニトリル)

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

HCID 85867CAS 15545-97-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(C)(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)(C)OC
InChIKey: PFHOSZAOXCYAGJ-UHFFFAOYSA-N
分子式: C16H28N4O2
平均分子量: 308.42 g/mol
単同位体質量: 308.22122614

概要

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

名称と識別子

優先名称: 2,2'-Azobis(2,4-dimethyl-4-methoxyvaleronitrile)
IUPAC: 2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
現地名: 2,2'-アゾビス-(4-メトキシ-2,4-ジメチルバレロニトリル)
英語名: 2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)
分子式: C16H28N4O2
分子量: 308.42

名称と別名

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

名称をさらに表示

2，2’－アゾビス（4－メトキシ－2，4－ジメチルバレロニトリル）2,2'-アゾビス-(4-メトキシ-2,4-ジメチルバレロニトリル)２，２’アゾビス（４メトキシ２，４ジメチルバレロニトリル）2,2'-アゾビス(4-メトキシ-2,4-ジメチルバレロニトリル)2,2′-アゾビス(2,4-ジメチル-4-メトキシペンタンニトリル)2,2′-アゾビス(2,4-ジメチル-4-メトキシバレロニトリル)2-[2-(1-シアノ-3-メトキシ-1,3-ジメチルブチル)ジアゼン-1-イル]-4-メトキシ-2,4-ジメチルペンタンニトリル2,2′-アゾビス(4-メトキシ-2,4-ジメチルペンタンニトリル)2,2′-アゾビス(4-メトキシ2,4-ジメチルバレロニトリル)2,2′-アゾビス(4-メトキシ-2,4-ジメチルバレロニトリル)1,2-ビス(1-シアノ-1,3-ジメチル-3-メトキシブチル)ジアゼン2,2'-ｱｿﾞﾋﾞｽ(4-ﾒﾄｷｼ-2,4-ｼﾞﾒﾁﾙﾍﾟﾝﾀﾝﾆﾄﾘﾙ)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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.3
極性表面積: 90.8 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 22
形式電荷: 0
複雑度: 463

実験および物理化学的性質

Physical DescriptionWet Solid

物理化学的性質

融点: 85 ℃approximate · approximate 85℃approximate 85℃(decomposition)
沸点: 389.8 · 389.8±42.0 °C(Predicted)
比重(密度): 0.96 · 0.96±0.1 g/cm3(Predicted)
蒸気圧: 3.55 Pa · 3.55Pa at 25℃
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
色: White to Off-White
水溶解度: 873.4 mg/L · 873.4mg/L at 20℃
LogP: 2.3 at · 2.3 at 25℃
EPAの化学物質情報: 2 · 2,2'-Azobis[4-methoxy-2,4-dimethylpentanenitrile] (15545-97-8)

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 2 件

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 · 2 件

Self-react. D (100%)

Self-reactive substances and mixtures - Type D

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 47,223 lb

Industry UsesPolymerization promoter

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl-: ACTIVE

応用分野

用途有機合成用重合開始剤。

用途低温用重合開始剤

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