4-Iodoanisole (HCID 69676)

概要

(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.

名称と識別子

優先名称: 4-Iodoanisole
IUPAC: 1-iodo-4-methoxybenzene
現地名: 4-ヨードアニソール
英語名: 4-Iodoanisole
分子式: C7H7IO
分子量: 234.03

名称と別名

4-Iodoanisole696-62-81-Iodo-4-methoxybenzenep-IodoanisoleBenzene, 1-iodo-4-methoxy-IsoformNSC-60727ZN7Y5PP2KWDTXSID7061015RefChem:524236DTXCID8046533211-798-7

名称をさらに表示

4-ヨードアニソール4-メトキシ-1-ヨードベンゼン1-ヨード-4-メトキシベンゼンp-メトキシ-1-ヨードベンゼン4-ヨード-1-メトキシベンゼン(4-メトキシフェニル)ヨージドメチル(4-ヨードフェニル)エーテルp-ヨードフェニル(メチル)エーテルp-ヨードメトキシベンゼンイソホルムイソフォルム4-ヨードフェニル(メチル)エーテル1-メトキシ-4-ヨードベンゼンp-ヨードアニソール4-メトキシフェニルヨージド4-ヨードアニソールヨウ化物P‐ヨードアニソールアイソフォームp-iodoanisol4-IODOANISOL4-IODANISOLE4-lodoanisole1-iodo-4-methoxy-benzenCREM-α

4-Methoxyiodobenzenep-MethoxyiodobenzeneAnisole, p-iodo-4-Iodomethoxybenzenep-Iodophenyl methyl ether1-iodo-4-methoxy-BenzeneMFCD00001056Izoform

データベース識別子

CAS: 696-62-8
PubChem CID: 69676
DTXSID: DTXSID7061015
ChEBI: CHEBI:174192
UNII: ZN7Y5PP2KW
EC Number: 211-798-7
Nikkaji: J93.739H

物性

構造計算による物性

XLogP: 2.9
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 77

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Anisoles

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 50 · 50-53 °C(lit.)
沸点: 237 °C726 · 237 °C726 mm Hg(lit.)
比重(密度): 1.7904 · 1.7904 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: エタノール、エーテル、クロロホルムに可溶。
外見: 結晶性粉末およびチャンク
色: オフホワイトからブラウン
BRN: 1906692 · 1906692
InChI: 1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: SYSZENVIJHPFNL-UHFFFAOYSA-N
SMILES: COc1ccc(I)cc1
CAS データベース: 696 · 696-62-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-iodo-4-methoxy-(696-62-8)
EPAの化学物質情報: 1 · Benzene, 1-iodo-4-methoxy- (696-62-8)

化学的性質

化学的特性off-white to brown crystalline powder and chunks. Melting point 51-52 ℃, boiling point 237 ℃ (96.8kPa). Soluble in organic solvents such as alcohol and ether, but insoluble in water. Iodine can be easily separated and analyzed by light.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzene, 1-iodo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29093090
risk_code: 36/37/38
化審法: (3)-3916
安衛法: 57,57-2
hazard_code: Xi,Xn
safety_code: 26-36-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-iodo-4-methoxy-: ACTIVE

応用分野 · 3 件

解説同じ機能をもちながら分子構造の一部だけが異なるタンパク質のグループをいう．タンパク質分子に結合したリン酸基や糖鎖の有無とか，ペプチド鎖の部分的な解裂の有無などがアイソフォームをつくる．酵素に限定した場合は，アイソザイム(イソ酵素)とよぶ．

用途有機合成原料。

使用4-Iodoanisole is used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents.

調製方法 · 2 件

製造方法4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.

純化方法Crystallise 4-iodoanisole from aqueous EtOH and/or distil it under vacuum. [Beilstein 6 H 208, 6 I 109, 6 II 199, 6 III 744, 6 IV 1075.]