基本情報
- CAS
4475-95-0- 標準SMILES
CCC(C)(N)C#N- InChIKey
JCLSEQJEXYHVTC-UHFFFAOYSA-N- 分子式
- C5H10N2
- 平均分子量
- 98.15 g/mol
- 単同位体質量
- 98.08439832
概要
2-amino-2-methyl-butane nitrile appears as a yellow liquid with an ammonia-like odor. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
名称と識別子
- 優先名称
- 2-Amino-2-methylbutyronitrile
- IUPAC
- 2-amino-2-methylbutanenitrile
- 現地名
- 2-アミノ-2-メチルブタンニトリル
- 英語名
- 2-amino-2-methylbutyronitrile
- 分子式
- C5H10N2
- 分子量
- 98.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
4475-95-0- PubChem CID
- 15576830
- DTXSID
DTXSID9027572- UNII
- O96C083460
- EC Number
- 224-752-6
- Nikkaji
- J205.859F
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 99.9
実験および物理化学的性質
Physical Description
2-amino-2-methyl-butane nitrile appears as a yellow liquid with an ammonia-like odor. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
CBI
物理化学的性質
- 沸点
- 87.5 · 87.5-88.5℃ (55 Torr)
- 比重(密度)
- 0.9 g/cm3 · 0.9 g/cm3
- 屈折率
- 1.4302 · 1.4302 (589.3 nm 20℃)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 酸解離定数(Pka)
- 5.12 · 5.12±0.25(Predicted)
- EPAの化学物質情報
- 2 · 2-Amino-2-methyl-butyronitrile (4475-95-0)
安全と法規制
危険有害性情報
Regulatory Information
Butanenitrile, 2-amino-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2-amino-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.
Reactivity Profile
An amine/nitrile. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
安全と保護具
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Butanenitrile, 2-amino-2-methyl-: ACTIVE
応用分野
一般的な説明A yellow liquid with an ammonia-like odor. Flash point 35°F. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
上流・下流製品情報
下流製品
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