イソブチロニトリル(78-82-0)

イソブチロニトリル 製品概要
化学名:イソブチロニトリル
英語化学名:Isobutyronitrile
别名:Isobutylronitrile;#niso-Butyronitrile;ISOBUTYRONITRILE, 99.6%;1-Cyano-1-methylethane;2-Cyanopropane;2-methyl-propanenitril;2-methyl-propanoicacinitrile;alpha-Methylpropanenitrile
CAS番号:78-82-0
分子式:C4H7N
分子量:69.11
EINECS:201-147-5
カテゴリ情報:Organics
Mol File:78-82-0.mol
イソブチロニトリル
イソブチロニトリル 物理性質
融点 -72 °C (lit.)
沸点 107-108 °C (lit.)
比重(密度) 0.770 g/mL at 20 °C (lit.)
蒸気密度2.38 (vs air)
蒸気圧100 mm Hg ( 54.4 °C)
屈折率 n20/D 1.372(lit.)
闪点 39 °F
貯蔵温度 Flammables area
溶解性slightly soluble in water and acetone, very soluble in alcohol and ether
外見 Liquid
Clear colorless to light yellow
水溶解度 35 g/L (20 ºC)
Merck 14,5156
BRN 1340512
Dielectric constant23.9(Ambient)
安定性:Stable. Flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
CAS データベース78-82-0(CAS DataBase Reference)
NISTの化学物質情報Propanenitrile, 2-methyl-(78-82-0)
EPAの化学物質情報Isobutyronitrile (78-82-0)
安全性情報
主な危険性 F,T
Rフレーズ 11-23/24/25-36/37/38
Sフレーズ 9-16-24/25-26-36/37/39-45-23
RIDADR UN 2284 3/PG 2
WGK Germany 2
RTECS 番号TZ4900000
Hazard Note Highly Flammable/Toxic
TSCA Yes
国連危険物分類 3
容器等級 II
HSコード 29269095
有毒物質データの78-82-0(Hazardous Substances Data)
毒性LD50 (mg/kg): 25 i.p. in mice; 200 orally in rats (Zeller); LD50 orally in male mice: 0.3652 mmol/kg (Tanii)
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
イソブチロニトリル Usage And Synthesis
外観無色~うすい黄色, 澄明の液体
溶解性水に微溶 (3.5%, 20℃)。エタノール, エーテルに易溶。
化学的特性Colorless liquid with a foul odor. Insoluble in water, easily soluble in ethanol and ether.
使用Isobutyronitrile can be derived from isobutyraldehyde. It is used in organic synthesis, as a catalyst in the polymerization of ethylene and in the petroleum industry as a gasoline additive. Isobutyronitrile is also used to synthesize the intermediate 2-isopropyl-4-methyl-6-hydroxypyrimidine of the organophosphorus insecticide diazinon.
調製方法Isobutyronitrile is prepared from isobutyraldehyde by cyanation with ammonia.
定義ChEBI: Isobutyronitrile is an aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups. It has a role as a polar aprotic solvent. It is an aliphatic nitrile and a volatile organic compound.
調製方法Isobutyronitrile is usually obtained by the catalytic gas-phase reaction of isobutyraldehyde or isobutanol with ammonia. Its major use is the synthesis of the insecticide diazinon.
一般的な説明A clear colorless liquid. Flash point 47°F. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.
空気と水の反応Highly flammable. Slightly soluble in water.
反応プロフィールIsobutyronitrile is incompatible with the following: Oxidizers, reducing agents, strong acids & bases .
危険性Toxic by ingestion, inhalation, and skin absorption.
健康ハザードIsobutyronitrile is considered highly hazardous and full precautions should be taken to prevent skin contact or inhalation of vapor. Inhaled isobutyronitrile is about 2.4 times as toxic as acetonitrile in rats. may be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes. (Non-Specific -- Nitriles) Primarily, they are skin and eye irritants. Large doses cause collapse and stop breathing. In order to protect workers, the recommended TWA limit is obtained by dividing that for acetonitrile by the factor 2.4. NIOSH has therefore recommended that employee exposure should not exceed 8 p.p.m. (22 mg/m3) for either compound as a TLV-TWA.
火災危険Vapor may explode if ignited in an enclosed area. Toxic oxides of nitrogen are produced during combustion. Isobutyronitrile is a flammable/combustible material and may be ignited by heat, sparks, or flames. Vapors may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Hazardous polymerization may not occur.
代謝Thiocyanate was present in the urine of rats dosed orally with isobutyronitrile.
純化方法Shake the nitrile with conc HCl (to remove isonitriles), then with water and aqueous NaHCO3. After a preliminary drying with silica gel or Linde type 4A molecular sieves, it is shaken or stirred with CaH2 until hydrogen evolution ceases, then decanted and distilled from P2O5 (not more than 5g/L, to minimize gel formation) or Drierite (b 101-103o/760mm). Finally it is refluxed with, and slowly distilled from CaH2 (5g/L), taking precautions to exclude moisture. [Beilstein 2 H 294, 2 I 129, 2 II 263, 2 III 655, 2 IV 853.]
Tags:78-82-0