CAS 31599-61-8 4-Iodo-1,2-dimethylbenzene (HCID 141646)

名称と識別子

優先名称: 4-Iodo-1,2-dimethylbenzene
IUPAC: 4-iodo-1,2-dimethylbenzene
現地名: 4-ヨード-o-キシレン
英語名: 4-Iodo-1,2-dimethylbenzene
分子式: C8H9I
分子量: 232.06

名称と別名

4-Iodo-1,2-dimethylbenzeneRefChem:524117628-993-131599-61-84-Iodo-o-xylene3,4-dimethyliodobenzeneBenzene, 4-iodo-1,2-dimethyl-1,2-Dimethyl-4-iodobenzene1-Iodo-3,4-dimethylbenzeneMFCD000409894-IODO-ORTHO-XYLENE4-iodo-orthoxylene

名称をさらに表示

4-ヨード-o-キシレン3,4-ジメチル-1-ヨードベンゼン1-ヨード-3,4-ジメチルベンゼン4-ヨード-1,2-ジメチルベンゼン3,4-ジメチルフェニルヨージド1,2-ジメチル-4-ヨードベンゼン4-IODO-2-XYLENE4-Iodo-o-xylene>4-Iodo-1,2-dimethylb4-Iodo-o-xylene, 98+%3,4-Dimethjyliodobenzene3,4-Dimethylphenyl iodide

4-Jod-1.2-dimethylbenzol4-Iodo-1,2-dimethylbenzene #AKOS005145656DS-18274EN300-106932AMY96654-iodo-0-xyleneFT-0618799

データベース識別子

CAS: 31599-61-8
PubChem CID: 141646
DTXSID: DTXSID00185482
EC Number: 628-993-1
Nikkaji: J267.266I

物性

構造計算による物性

XLogP: 3.3
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: 9
形式電荷: 0
複雑度: 90.6

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: -2.9 °C · -2.9°C (estimate)
沸点: 106 · 106-108 °C13 mm Hg(lit.)
比重(密度): 1.633 g/mL · 1.633 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.603(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Brown
BRN: 1905729 · 1905729
InChI: InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChIKey: CSFRCLYFVINMBZ-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(I)C=C1C
CAS データベース: 31599 · 31599-61-8(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzene, 4-iodo-1,2-dimethyl-(31599-61-8)

化学的性質

化学的特性clear yellow to red-brown liquid

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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) may be used in the synthesis of the following:3-arylacrylamide3,3-diaryl substituted acrylamide3-arylpropylaminedi-tert-butyl 1-(3,4-dimethylphenyl)hydrazine-1,2-dicarboxylate2,3,7,8-tetramethyldibenzofuran N-(3-(3,4-Dimethylphenyl)-2-phthalimidopropionyl)-2-methylthioaniline

一般的な説明1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) is an aryl halide. Its synthesis, NMR and IR spectra has been reported. Its nitration reaction and copper catalyzed trifluoromethylation reaction has been studied.