ヨウ化アリル
Allyl iodide
基本情報
- CAS
556-56-9- 標準SMILES
C=CCI- InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N- 分子式
- C3H5I
- 平均分子量
- 167.98 g/mol
- 単同位体質量
- 167.94359816
概要
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
名称と識別子
- 優先名称
- Allyl iodide
- IUPAC
- 3-iodoprop-1-ene
- 現地名
- ヨウ化アリル
- 英語名
- ALLYL IODIDE
- 分子式
- C3H5I
- 分子量
- 167.98
名称と別名
ALLYL IODIDE556-56-93-Iodo-1-propene3-Iodopropene1-Propene, 3-iodo-3-IodopropylenePropene, 3-iodo-UN1723EINECS 209-130-4NSC 18588UNII-46830QOA4DBRN 1697594
名称をさらに表示
アリル ヨージド3-ヨードプロペン2-プロペニルヨージド1-ヨード-2-プロペンアリルヨージド3-ヨードプロピレン3-ヨード-1-プロペン3-ヨードプロプ-1-エンよう化アリル3-ヨードプロパ-1-エンAllyljodidAllyliodid3-Jodpropen3-Iodpropen3-iodo-propen3-Jod-1-propen
46830QOA4D2-Propene, 1-iodoCH2CHCH2INSC-18588ALLYL IODIDE [MI]4-01-00-00761 (Beilstein Handbook Reference)DTXSID5060302UN 1723
データベース識別子
- CAS
556-56-9- PubChem CID
- 11166
- DTXSID
DTXSID5060302- UNII
- 46830QOA4D
- EC Number
- 209-130-4
- Nikkaji
- J2.661A
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 17.2
実験および物理化学的性質
Chemical Classes
Other Classes -> Halogenated Aliphatics, Unsaturated
Corrosives
SpringerMaterials PropertiesSchoenflies notation
Physical Description
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
Yellowish liquid with a pungent unpleasant odor; Darkened by light and air evolving iodine; [Merck Index] Clear dark red liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -99 °C · -99 °C
- 沸点
- 102103 °C · 102103°C
- 比重(密度)
- 1.837 g/mL · 1.837 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.554
- 闪点
- 65 °F · 65 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- アルコール：混和性（点灯）
- 外見
- 液体
- 色
- クリアイエローからオレンジ、レッド、またはレッドブラウン
- 水溶解度
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
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1-Propene, 3-iodo-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
Causes general anesthesia, cyanosis, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats; [RTECS] Corrosive and flammable; [Merck Index] A strong skin, eye, and mucous membrane irritant; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Highly toxic by ingestion; Readily absorbed through skin; [Sigma-Aldrich MSDS] See Allyl bromide. See 2,3-Dichloro-1-propene. See Iodine for the TLV of Iodides.
化学と産業
用途と製造
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information1-Propene, 3-iodo-: ACTIVE
応用分野
解説C3H5I(167.98)．CH2=CHCH2I．アリルアルコールまたはグリセリンにヨウ化水素酸を作用させると得られる．黄色の液体．融点－99.3 ℃，沸点102 ℃．d12121.848．ヨウ化アリルは，水に不溶，エタノール，エーテル，クロロホルムに易溶．空気中で光にさらすとヨウ素を放出して褐色になる．アリル化試薬として用いられ，ナトリウムにより1,5-ヘキサジェンを生成する．森北出版「化学辞典（第2版）
使用Allyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.
一般的な説明A yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Flash point is less than 75°F. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
調製方法
純化方法Purify allyl iodide in a dark room by washing with aqueous Na2SO3 to remove free iodine, then dry with MgSO4 and distil at 43o/90 mm or at atmospheric pressure to give a very pale yellow liquid. (This material, dissolved in hexane, can be stored in a light-protected tight container at -5o for up to three months before free iodine could be detected, by its colour in the solution.) Store it away from light. [Sibbett & Noyes J Am Chem Soc 75 761 1953, Beilstein 1 H 202, 1 I 84, 1 II 172, 1 III 714, 1 IV 761.]
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