Allyl iodide (HCID 11166)

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 Å²
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 · 2 件

Other Classes -> Halogenated Aliphatics, Unsaturated

Corrosives

SpringerMaterials PropertiesSchoenflies notation

Physical Description · 2 件

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: アルコール、クロロホルム、エーテル、ジエチルエーテルに可溶。水に不溶。
Merck: 14 · 14,294
BRN: 1697594 · 1697594
Henry's Law Constant: 3.8 · 3.8×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant: 6.1 · 6.1(19℃)
InChI: 1S/C3H5I/c1-2-3-4/h2H,1,3H2
InChIKey: HFEHLDPGIKPNKL-UHFFFAOYSA-N
SMILES: ICC=C
CAS データベース: 556 · 556-56-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Propene, 3-iodo- (556-56-9)

化学的性質

化学的特性clear orange, red or red-brown liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 2 件

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 · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 件

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.

DOT ID and Guide1723 132

安全と保護具

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 8-13
wgk: 1
tsca: TSCA listed
rtecs: UD0450000
ridadr: UN 1723
hs_code: 29033990
risk_code: 10-34-11
安衛法: 57,57-2
消防法: 危-4-1-II
hazard_code: C,T,F
safety_code: 7-26-45-16
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

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 · 3 件

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 · 1 件

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.]