1,3,4,5-テトラフルオロ-2-ニトロベンゼン

1,2,3,5-Tetrafluoro-4-nitrobenzene

HCID 67566

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 314-41-0
標準SMILES: O=[N+]([O-])c1c(F)cc(F)c(F)c1F
InChIKey: FDLCUAUNAWWSBX-UHFFFAOYSA-N
分子式: C6HF4NO2
平均分子量: 195.07 g/mol
単同位体質量: 194.99434115

名称と識別子

優先名称: 1,2,3,5-Tetrafluoro-4-nitrobenzene
IUPAC: 1,2,3,5-tetrafluoro-4-nitrobenzene
現地名: 1,3,4,5-テトラフルオロ-2-ニトロベンゼン
英語名: 2,3,4,6-Tetrafluoronitrobenzene
分子式: C6HF4NO2
分子量: 195.07

名称と別名

2,3,4,6-Tetrafluoronitrobenzene1,2,3,5-Tetrafluoro-4-nitrobenzeneBenzene, 1,2,3,5-tetrafluoro-4-nitro-SU82FD6B27EINECS 206-246-7DTXSID30753872,3,4,6-TETRAFLUORO-1-NITROBENZENERefChem:71346DTXCID3038355206-246-7FDLCUAUNAWWSBX-UHFFFAOYSA-N314-41-0

名称をさらに表示

1,2,3,5-テトラフルオロ-4-ニトロベンゼン2,3,4,6-テトラフルオロ-1-ニトロベンゼン1-ニトロ-2,3,4,6-テトラフルオロベンゼン1,3,4,5-テトラフルオロ-2-ニトロベンゼン2,3,4,6-テトラフルオロニトロベンゼン2,3,4,6-TetrafL2,3,4,6-TETRAFLUORON5-fluro-2-methylaniline5-tetrafluoro-4-nitrobenzene1,2,4,6-Tetrafluoronitrobenzene2-Nitro-1,3,4,5-tetrafluorobenzene1-Nitro-2,3,4,6-tetrafluorobenzene2,3,4,6-Tetrafluoronitrobenzene98%

MFCD000116871,2,3,5-tetrafluoro-4-nitro-benzeneUNII-SU82FD6B27GS-60771,2,3,5-Tetrafluoro-4-nitrobenzene #SY1039142,3,4,6-Tetrafluoronitrobenzene, >=97%1,3,4,5-tetrafluoro-2-nitrobenzene

データベース識別子

CAS: 314-41-0
PubChem CID: 67566
DTXSID: DTXSID3075387
UNII: SU82FD6B27
EC Number: 206-246-7
Nikkaji: J193.731F

物性

構造計算による物性

XLogP: 2.3
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: 6
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 209

物理化学的性質

融点: -5 · -5
沸点: 78 · 78-79°C 20mm
比重(密度): 1.511 g/mL · 1.511 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.464(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
比重: 1.511 · 1.511
安定性: 安定。強酸化剤、強塩基とは相容れない。可燃性。
InChI: 1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H
InChIKey: FDLCUAUNAWWSBX-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1c(F)cc(F)c(F)c1F
CAS データベース: 314 · 314-41-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · Benzene, 1,2,3,5-tetrafluoro-4-nitro- (314-41-0)

化学的性質

化学的特性yellow 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 39 reports by companies from 2 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: 2904990090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
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 · 1 件

一般的な説明Molluscicidal activity of 2,3,4,6-tetrafluoronitrobenzene against Biomphalaria glabrata has been investigated. Palladium-catalyzed cross-coupling reactions of 2,3,4,6-tetrafluoronitrobenzene with alkyne derivatives has been studied. Reaction of 2,3,4,6-tetrafluoronitrobenzene with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene in the presence of water molecules in acetonitrile has been investigated.