1,2-ジクロロ-4-フルオロ-5-ニトロベンゼン

1,2-Dichloro-4-fluoro-5-nitrobenzene

HCID 533951CAS 2339-78-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1cc(Cl)c(Cl)cc1F
InChIKey: FXOCDIKCKFOUDE-UHFFFAOYSA-N
分子式: C6H2Cl2FNO2
平均分子量: 209.99 g/mol
単同位体質量: 208.94466188

名称と識別子

優先名称: 1,2-Dichloro-4-fluoro-5-nitrobenzene
IUPAC: 1,2-dichloro-4-fluoro-5-nitrobenzene
現地名: 1,2-ジクロロ-4-フルオロ-5-ニトロベンゼン
英語名: 1,2-Dichloro-4-fluoro-5-nitrobenzene
分子式: C6H2Cl2FNO2
分子量: 209.99

名称と別名

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8DTXSID90336466RefChem:71854DTXCID40287555607-228-5FXOCDIKCKFOUDE-UHFFFAOYSA-N4,5-Dichloro-2-fluoronitrobenzeneBenzene, 1,2-dichloro-4-fluoro-5-nitro-MFCD000753304,5-dichloro-2-fluoro-1-nitrobenzeneSCHEMBL123793

名称をさらに表示

1,2-ジクロロ-4-フルオロ-5-ニトロベンゼンBUTTPARK 89\07-58uoro-5-nitrobenzene1,2-DICHLORO-4-FLUOR3,4-Dichloro-2-fluoro-1-nitrobenzene4,5-Dichloro-2-fluoronitrobenzene95%4,5-Dichloro-2-fluoronitrobenzene 95%1,2-Dichloro-4-fluoro-5-nitorobenzene

SCHEMBL29580289SBB063959AKOS015850065AC-9707CS-W0151301,2-dichloro-4-fluoro-5-nitro-benzeneDS-14272SY014946

データベース識別子

CAS: 2339-78-8
PubChem CID: 533951
DTXSID: DTXSID90336466
EC Number: 607-228-5
Nikkaji: J1.491.523K

物性

構造計算による物性

XLogP: 3
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 187

物理化学的性質

融点: 17 °C · 17 °C (lit.)
沸点: 247 °C · 247 °C (lit.)
比重(密度): 1.596 g/mL · 1.596 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.575(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 低融点固体
色: ペールイエロー
InChI: 1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey: FXOCDIKCKFOUDE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(Cl)c(Cl)cc1F
CAS データベース: 2339 · 2339-78-8(CAS DataBase Reference)

化学的性質

化学的特性Off-White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 42 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 CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 2904990090
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye 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

使用1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.

一般的な説明Proton-detected local field (PDLF) spectra of 1,2-dichloro-4-fluoro-5-nitrobenzene in nematic solvents has been studied.