基本情報
- CAS
26842-43-3- 標準SMILES
CC(C)CC(C)(N)C#N- InChIKey
PRTTZMKZMXANFG-UHFFFAOYSA-N- 分子式
- C7H14N2
- 平均分子量
- 126.2 g/mol
- 単同位体質量
- 126.11569846
概要
2-amino-2,4-dimethyl-pentane nitrile appears as a clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Produces toxic fumes during combustion.
名称と識別子
- 優先名称
- 2-Amino-2,4-dimethylpentanenitrile
- IUPAC
- 2-amino-2,4-dimethylpentanenitrile
- 現地名
- 2-アミノ-2,4-ジメチルペンタンニトリル
- 英語名
- 2-amino-2,4-dimethylvaleronitrile
- 分子式
- C7H14N2
- 分子量
- 126.2
名称と別名
2-Amino-2,4-dimethylpentanenitrileMibkan2-Amino-2,4-dimethylvaleronitrileVazo 52ANDTXSID7044899Pentanenitrile, 2-amino-2,4-dimethyl-EINECS 248-039-4Valeronitrile, 2-amino-2,4-dimethyl-UNII-M1687739RIM1687739RIDTXCID5024899RefChem:85065
名称をさらに表示
2-アミノ-2,4-ジメチルバレロニトリル2-アミノ-2,4-ジメチルペンタンニトリルPentanenitrile, 2-amino-2,4-dimethyl.
2-AMINO-2,4-DIMETHYL-PENTANE NITRILE26842-43-3MFCD019383672-amino-2,4-dimethylpentanonitrileSCHEMBL7787399CHEMBL31869412,4-dimethyl-2-aminopentanenitrileTox21_301813
データベース識別子
- CAS
26842-43-3- PubChem CID
- 92251
- DTXSID
DTXSID7044899- ChEMBL
CHEMBL3186941- UNII
- M1687739RI
- EC Number
- 248-039-4
- Nikkaji
- J27.749E
物性
構造計算による物性
- XLogP
- 1
- 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
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 131
実験および物理化学的性質
Physical Description
2-amino-2,4-dimethyl-pentane nitrile appears as a clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Produces toxic fumes during combustion.
CBI
物理化学的性質
- EPAの化学物質情報
- 2 · 2-Amino-2,4-dimethylpentanenitrile (26842-43-3)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Pentanenitrile, 2-amino-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanenitrile, 2-amino-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)
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
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.
化学と産業
用途と製造
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Pentanenitrile, 2-amino-2,4-dimethyl-: ACTIVE
応用分野
一般的な説明A clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Flash point 51°F. Produces toxic fumes during combustion.
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関連反応
5 件
化合物ノート
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