基本情報
- CAS
2567-01-3- 標準SMILES
CC(C#N)CO- InChIKey
COZQDNPLORIALF-UHFFFAOYSA-N- 分子式
- C4H7NO
- 平均分子量
- 85.1 g/mol
- 単同位体質量
- 85.05276385
概要
Propylene cyanohydrin is a colorless liquid with a mild odor. Used in organic synthesis.
名称と識別子
- 優先名称
- Propylene cyanohydrin
- IUPAC
- 3-hydroxy-2-methylpropanenitrile
- 現地名
- 3-ヒドロキシ-2-メチルプロパンニトリル
- 英語名
- 3-hydroxy-2-methylpropiononitrile
- 分子式
- C4H7NO
- 分子量
- 85.10448
名称と別名
3-hydroxy-2-methylpropanenitrile3-Hydroxy-2-methylpropiononitrilePROPYLENE CYANOHYDRINPropanenitrile, 3-hydroxy-2-methyl-beta-hydroxyisobutyronitrileDTXSID50948549EINECS 219-902-2RefChem:8697782-METHYLHYDRACRYLONITRILEDTXCID501376780HYDRACRYLONITRILE, 2-METHYL-219-902-2
名称をさらに表示
2-(ヒドロキシメチル)プロパンニトリル3-ヒドロキシ-2-メチルプロパンニトリル2-メチル-3-ヒドロキシプロピオノニトリル2-(Hydroxymethyl)propanenitrile2-Methyl-3-hydroxypropiononitrile
2567-01-3MFCD11653306SCHEMBL563144SCHEMBL3213277SCHEMBL3934619SCHEMBL59562153-hydroxy-2-methyl-propanenitrileCOZQDNPLORIALF-UHFFFAOYSA-N
データベース識別子
- CAS
2567-01-3- PubChem CID
- 17377
- DTXSID
DTXSID50948549- EC Number
- 219-902-2
- Nikkaji
- J192.073A
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 44 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
- 6
- 形式電荷
- 0
- 複雑度
- 70.9
実験および物理化学的性質
Physical DescriptionPropylene cyanohydrin is a colorless liquid with a mild odor. Used in organic synthesis.
物理化学的性質
- 安定性
- 安定。
- EPAの化学物質情報
- Propylene cyanohydrin (2567-01-3)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
A hydroxylated 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.
Air and Water ReactionsFlammable. Soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全と保護具
Fire Fighting
化学と産業
応用分野
一般的な説明Colorless liquid with a mild odor. Used in organic synthesis.
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