2-フルオロ-4-ニトロアニソール

2-Fluoro-4-nitroanisole

HCID 223104CAS 455-93-6

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc([N+](=O)[O-])cc1F
InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N
分子式: C7H6FNO3
平均分子量: 171.13 g/mol
単同位体質量: 171.03317127

名称と識別子

優先名称: 2-Fluoro-4-nitroanisole
IUPAC: 2-fluoro-1-methoxy-4-nitrobenzene
現地名: 2-フルオロ-4-ニトロアニソール
英語名: 2-Fluoro-4-nitroanisole
分子式: C7H6FNO3
分子量: 171.13

名称と別名

2-Fluoro-4-nitroanisoleDTXSID90278852RefChem:472396DTXCID60230008610-263-9455-93-62-Fluoro-1-methoxy-4-nitrobenzeneBENZENE, 2-FLUORO-1-METHOXY-4-NITRO-MFCD000610952-fluoro-4-nitroanisol4-nitro-2-fluoroanisolNSC10335

名称をさらに表示

2-フルオロ-4-ニトロアニソール1-メトキシ-2-フルオロ-4-ニトロベンゼン2-フルオロ-1-メトキシ-4-ニトロベンゼン2-メトキシ-5-ニトロ-1-フルオロベンゼン1-フルオロ-2-メトキシ-5-ニトロベンゼン2-Fluoro-4-nitroanisFluoro-4-nitroanisole2-Fluoro-4-nitroanisole>2-Fluoride-4-Nitro Anisole2-Fluoro-4-nitroanisole98%2-Fluoro-4-nitroanisole 98%2-Fluoro-4-nitro-methoxybenzene2-Methoxy-5-nitro-1-fluorobenzene

2-fluoro-1-methoxy-4-nitro-benzeneSCHEMBL2966812-Fluoro-4-nitroanisole, 98%Nitrobenzene, 3-fluoro-4-methoxy-NSC-10335AC-3804SY021115CS-0007667

データベース識別子

CAS: 455-93-6
PubChem CID: 223104
DTXSID: DTXSID90278852
EC Number: 610-263-9
Nikkaji: J359.872A

物性

構造計算による物性

XLogP: 2.3
極性表面積: 55.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 103 · 103-105 °C (lit.)
沸点: 277.2 · 277.2±20.0 °C(Predicted)
比重(密度): 1.321 · 1.321±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Toluene
外見: 結晶性粉末
色: 白色～淡黄色
InChI: 1S/C7H6FNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N
SMILES: COc1ccc(cc1F)[N+]([O-])=O
CAS データベース: 455 · 455-93-6(CAS DataBase Reference)

化学的性質

化学的特性White to light yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (91.3%): 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 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 CategoriesSkin Irrit. 2 (91.3%)

安全データ

wgk: 3
hs_code: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Fluoro-4-nitroanisole was employed as alternative biochemical photoprobe for proteins.

一般的な説明2-Fluoro-4-nitroanisole is a 2-halo-4-nitroanisole and its photoreaction with the nucleophiles hydroxide ion and pyridine has been investigated. Mechanism of photoreaction of 2-fluoro-4-nitroanisole with n-hexylamine has been investigated.