2-クロロ-4-フルオロヨードベンゼン

2-Chloro-4-fluoro-1-iodobenzene

HCID 2736559CAS 101335-11-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1ccc(I)c(Cl)c1
InChIKey: POTCKVPDYXEGSV-UHFFFAOYSA-N
分子式: C6H3ClFI
平均分子量: 256.44 g/mol
単同位体質量: 255.895204

名称と識別子

優先名称: 2-Chloro-4-fluoro-1-iodobenzene
IUPAC: 2-chloro-4-fluoro-1-iodobenzene
現地名: 2-クロロ-4-フルオロヨードベンゼン
英語名: 2-Chloro-4-fluoroiodobenzene
分子式: C6H3ClFI
分子量: 256.44

名称と別名

2-chloro-4-fluoro-1-iodobenzene101335-11-92-Chloro-4-fluoroiodobenzeneDTXSID20371441RefChem:468961DTXCID40322475600-191-61-Chloro-5-fluoro-2-iodobenzenebenzene, 2-chloro-4-fluoro-1-iodo-2-chloro-4-fluoro-1-iodo-benzeneMFCD000517742-Chloro-4-fluoro-iodobenzene

名称をさらに表示

2-クロロ-4-フルオロヨードベンゼン2-クロロ-4-フルオロ-1-ヨードベンゼン2-クロロ-4-フルオロヨードベンゼン, 98%colorless liquid2-Chloro-4-fluoroiodo3-Chloro-4-iodofluorobenzene4-Fluoro-2-chloroiodobenzene3-Chloro-1-fluoro-4-iodobenzene2-Chloro-4-fluoroiodobenzene98%2-Chloro-4-fluoroiodobenzene 98%Benzene,2-chloro-4-fluoro-1-iodo-

SCHEMBL2303874-fluoro-2-chloro-iodoben4-fluoro-2-chloro-iodobenzeneSCHEMBL295178372-Chloro-4-fluoro-1-iodobenzolSBB101765AKOS005259729CS-W008327

データベース識別子

CAS: 101335-11-9
PubChem CID: 2736559
DTXSID: DTXSID20371441
EC Number: 600-191-6、923-932-8

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: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99.1

物理化学的性質

沸点: 96 °C · 96 °C
比重(密度): 2.008 · 2.008±0.06 g/cm3(Predicted)
屈折率: 1.601 · 1.601
闪点: 96 · 96-98°C/15mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: liquid
色: Clear, colourless
BRN: 2435080 · 2435080
InChI: 1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey: POTCKVPDYXEGSV-UHFFFAOYSA-N
SMILES: Fc1ccc(I)c(Cl)c1
CAS データベース: 101335 · 101335-11-9(CAS DataBase Reference)

化学的性質

化学的特性Clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 7 reports by companies from 4 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 CategoriesAcute Tox. 3 (14.3%)

安全データ

wgk: WGK 3
hs_code: 2903998090
risk_code: 36/37/38-22-36
hazard_code: Xi,Xn
safety_code: 26-36/37/39-23
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Chloro-4-fluoroiodobenzene is a polyhalogenated benzene derivative containing reactive substituents such as fluorine, bromine and iodine atoms in its structure. It can be used as a raw material for the preparation of organic synthesis for the preparation of other organic heterocyclic compounds. It can also be used as a key intermediate component in the manufacture of pharmaceuticals.