4-Iodotoluene (HCID 12207)

名称と識別子

優先名称: 4-Iodotoluene
IUPAC: 1-iodo-4-methylbenzene
現地名: 4-ヨードトルエン
英語名: 4-Iodotoluene
分子式: C7H7I
分子量: 218.04

名称と別名

4-Iodotoluene1-Iodo-4-methylbenzene624-31-7P-IODOTOLUENEBenzene, 1-iodo-4-methyl-p-Tolyl iodidep-MethyliodobenzeneToluene, p-iodo-1-Methyl-4-iodobenzeneG75KCN1AM8NSC-3776DTXSID4060785

名称をさらに表示

4-ヨードトルエンp-メチル-1-ヨードベンゼン(4-メチルフェニル)ヨージドp-トリルヨージド1-ヨード-4-メチルベンゼン4-メチル-1-ヨードベンゼン1-メチル-4-ヨードベンゼン4-メチルフェニルヨージド4-ヨード-1-メチルベンゼンp-ヨードトルエン4-ヨドトルエンpヨ-ドトルエン4-ヨードトルエンヨウ化物P‐ヨードトルエン4-Iodotouene4-IodotoL4-lodotoluene4-IodotoIuene

RefChem:858092DTXCID6043333210-841-7MFCD000010591-iodo-4-methyl-benzene4-methyliodobenzenep-tolyliodide4-iodo toluene

データベース識別子

CAS: 624-31-7
PubChem CID: 12207
DTXSID: DTXSID4060785
UNII: G75KCN1AM8
EC Number: 210-841-7
Nikkaji: J43.527I

物性

構造計算による物性

XLogP: 3.8
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: 0
重原子数: 8
形式電荷: 0
複雑度: 62.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionWhite to yellow solid; mp = 33-35 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点: 33 · 33-35 °C (lit.)
沸点: 211.5 °C · 211.5 °C (lit.)
比重(密度): 1 · 1,678 g/cm3
屈折率: 1.6155 · 1.6155 (estimate)
闪点: 194 °F · 194 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: メタノールへの溶解度はほぼ透明です。
外見: 結晶性低融点質量
色: 白色～淡黄色
水溶解度: 不溶性
BRN: 1903637 · 1903637
InChI: 1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
SMILES: Cc1ccc(I)cc1
CAS データベース: 624 · 624-31-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-iodo-4-methyl-(624-31-7)
EPAの化学物質情報: 1 · Benzene, 1-iodo-4-methyl- (624-31-7)

化学的性質

化学的特性WHITE TO LIGHT YELLOW CRYSTALLINE LOW MELTING MASS

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (40%): 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)

Aggregated GHS information provided per 20 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzene, 1-iodo-4-methyl-

Status: Active Update: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26721

4-Iodotoluene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Chlorotoluene.

Hazard Classes and CategoriesAcute Tox. 4 (40%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29036990
risk_code: 36/38-36/37/38
化審法: (3)-3917
安衛法: 57,57-2
hazard_code: Xi
safety_code: 24/25-26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2
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-methyl-: ACTIVE

応用分野 · 2 件

使用4-Iodotoluene is used in wide range of medicals industrial applications as well as in pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.

一般的な説明4-Iodotoluene undergoes Suzuki-Miyaura coupling reaction with phenylboronic acid catalyzed by (Ni,Mg)3Si2O5(OH)4 solid-solution nanotubes loaded with palladium. Cobalt-catalyzed coupling of 4-iodotoluene with thiophenols and alkanethiols has been investigated. Palladium/copper-catalyzed Sonogashira cross-coupling reaction of 4-iodotoluene with phenylacetylene has been studied.

調製方法

純化方法Crystallise 4-iodotoluene from EtOH and.or distil it. [Beilstein 5 IV 840.]

上流・下流製品情報

下流製品

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

4-ヨードトルエン

基本情報