3,5-ジクロロ-4-フルオロ-1-ニトロベンゼン

1,3-Dichloro-2-fluoro-5-nitrobenzene

HCID 76554CAS 3107-19-5

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(F)c(Cl)c1
InChIKey: VMAATSFMXSMKPG-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: 1,3-Dichloro-2-fluoro-5-nitrobenzene
IUPAC: 1,3-dichloro-2-fluoro-5-nitrobenzene
現地名: 3,5-ジクロロ-4-フルオロ-1-ニトロベンゼン
英語名: 3,5-Dichloro-4-fluoronitrobenzene
分子式: C6H2Cl2FNO2
分子量: 209.99

名称と別名

3107-19-51,3-Dichloro-2-fluoro-5-nitrobenzeneEINECS 221-466-3DTXSID00185023RefChem:72617DTXCID10107514221-466-33,5-Dichloro-4-fluoronitrobenzeneBenzene, 1,3-dichloro-2-fluoro-5-nitro-MFCD001299631,3-Dichloro-2-fluoro-5-nitro-benzene7GS7VN6LFA

名称をさらに表示

3,5-ジクロロ-4-フルオロ-1-ニトロベンゼン3,5-ジクロロ-4-フルオロニトロベンゼン3,5-ジクロロ-4-フルオロニトロベンゼン塩化物1,3-ジクロロ-2-フルオロ-5-ニトロベンゼンuoro-1-nitrob3,5-Dichloro-4-fluoro-1-nitrob5-Dichloro-4-fluoronitrobenzene2,6-DICHLORO-P-NITROFLUOROBENZENE3,5 dichloro 4-Fluoro Nirto Benzene3,5-Dichloro-4-fluoronitrobenzene99%

3,5-Dichloro-4-fluoro-1-nitrobenzeneUNII-7GS7VN6LFA2,6-DICHLORO-4-NITROFLUOROBENZENESCHEMBL14244404-Fluoro-3,5-dichloronitrobenzeneSBB063090AKOS015888138AC-9706

データベース識別子

CAS: 3107-19-5
PubChem CID: 76554
DTXSID: DTXSID00185023
UNII: 7GS7VN6LFA
EC Number: 221-466-3
Nikkaji: J133.173F

物性

構造計算による物性

XLogP: 3.4
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: 175

物理化学的性質

融点: 44 °C · 44 °C
沸点: 259.3 · 259.3±35.0 °C(Predicted)
比重(密度): 1.622 · 1.622±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: 粉
色: 白い
CAS データベース: 3107 · 3107-19-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34697

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2904990090
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

使用3,5-Dichloro-4-fluoronitrobenzene is an important synthetic chemical raw material for the synthesis of other compounds. It is commonly used in chemical factories and laboratory research.

調製方法 · 1 件

製造方法3,5-Dichloro-4-fluoronitrobenzene can be produced by reacting persulfate with ammonium nitrate to form a phosphine salt. The phosphine salt reacts with 3,5-Dichloro-4-fluorobenzene in the presence of hydrogen peroxide to form the desired product. The reaction occurs on a large scale to produce 3,5-dichloro-4-fluoronitrobenzene in high yield.