Pentafluoroiodobenzene (HCID 70008)

名称と識別子

優先名称: Pentafluoroiodobenzene
IUPAC: 1,2,3,4,5-pentafluoro-6-iodobenzene
現地名: ペンタフルオロヨードベンゼン
英語名: IODOPENTAFLUOROBENZENE
分子式: C6F5I
分子量: 293.96

名称と別名

IodopentafluorobenzenePentafluoroiodobenzeneBenzene, pentafluoroiodo-Iodoperfluorobenzene2,3,4,5,6-Pentafluoroiodobenzene1,2,3,4,5-Pentafluoro-6-iodo-benzenePentafluorophenyl iodideEINECS 212-565-2PerfluoroiodobenzeneDTXSID10231969NSC 88306RefChem:171368

名称をさらに表示

ペンタフルオロヨードベンゼンヨードペンタフルオロベンゼン1-ヨード-2,3,4,5,6-ペンタフルオロベンゼン2,3,4,5,6-ペンタフルオロ-1-ヨードベンゼン1-ヨードペンタフルオロベンゼン1,2,3,4,5-ペンタフルオロ-6-ヨードベンゼンペンタフルオロフェニルヨージドヨードペンタフルオロベンゼンヨウ化物ヨードペンタフルオロベンゼン, 97%PentafluoriodbenzolFive-fluoroiodobenzenePentafluoroiodiophenylIodoperfluorobenzene 99%

DTXCID90154460212-565-2OPYHNLNYCRZOGY-UHFFFAOYSA-N827-15-61,2,3,4,5-pentafluoro-6-iodobenzeneMFCD00001032C6F5Ibenzene, 1,2,3,4,5-pentafluoro-6-iodo-

データベース識別子

CAS: 827-15-6
PubChem CID: 70008
DTXSID: DTXSID10231969
UNII: 6FL842U9F2
EC Number: 212-565-2
Nikkaji: J108.273F

物性

構造計算による物性

XLogP: 3.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 150

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -29 °C · -29°C
沸点: 161 °C · 161 °C(lit.)
比重(密度): 2.204 g/mL · 2.204 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.496(lit.)
闪点: None
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: 液体
比重: 2.204 · 2.204
色: 無色透明
水溶解度: 水に不溶。
BRN: 2051549 · 2051549
InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
SMILES: C1(F)=C(I)C(F)=C(F)C(F)=C1F
CAS データベース: 827 · 827-15-6(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless 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 46 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

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
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Iodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution . It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery . It has potential applications in plasma processing industry and in preparation of catalysts .

一般的な説明Iodopentafluorobenzene forms supramolecular complexes with aromatic electron donors by forming halogen bonds to form discrete heterodimeric aggregates.