基本情報
- 標準SMILES
CCC(C)(C#N)N=NC(C)(C#N)CC- InChIKey
AVTLBBWTUPQRAY-UHFFFAOYSA-N- 分子式
- C10H16N4
- 平均分子量
- 192.26 g/mol
- 単同位体質量
- 192.13749651
概要
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.
名称と識別子
- 優先名称
- 2,2'-Azobis(2-methylbutyronitrile)
- IUPAC
- 2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile
- 現地名
- 2,2'-アゾビス(2-メチルブチロニトリル)
- 英語名
- 2,2'-Azodi(2-methylbutyronitrile)
- 分子式
- C10H16N4
- 分子量
- 192.26
名称と別名
名称をさらに表示
データベース識別子
- CAS
13472-08-7- PubChem CID
- 93079
- DTXSID
DTXSID8027747- ChEMBL
CHEMBL3182601- UNII
- 5DCY6GCZ6V
- EC Number
- 236-740-8
- Nikkaji
- J248.387D
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 72.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 284
実験および物理化学的性質
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
物理化学的性質
- 融点
- 49 · 49-52 °C
- 沸点
- 318.25 °C · 318.25°C (rough estimate)
- 比重(密度)
- 1.1 · 1.1
- 蒸気圧
- 0.354 Pa · 0.354Pa at 25℃
- 屈折率
- 1.491 · 1.4910 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム(少量)、メタノール(少量)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 水溶解度
- 392 mg/L · 392mg/L at 20℃
- Henry's Law Constant
- 4.5 · 4.5×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 安定性
- 爆発的な。ぶつけたり、接地したり、加熱したりすると、爆発する危険性があります。とても燃えやすい。強力な酸化剤とは相容れない。
- 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℃
- CAS データベース
- 13472 · 13472-08-7(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7)
化学的性質
化学的特性solid
安全と法規制
GHS分類
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.
危険有害性情報
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.
安全と保護具
安全データ
- F
- 4.4
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- EK4818750
- ridadr
- UN 3236 4.1
- 毒性
- LD50 orl-rat: 982 mg/kg NTIS** OTS0540633
- hs_code
- 29270000
- risk_code
- 11-22-2017/11/22
- 化審法
- (2)-3539
- 消防法
- 危-5-II
- hazard_code
- F,Xn
- safety_code
- 47-36/37/39-24/25-16
- hazard_class
- 4.1
- packing_group
- II
- 毒劇物取締法
- 劇物
化学と産業
用途と製造
General Manufacturing Information
Plastics Material and Resin Manufacturing
Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl-: ACTIVE
応用分野
用途重合開始剤。
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
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