4'-フルオロ-3'-ニトロアセトフェノン

4'-Fluoro-3'-nitroacetophenone

HCID 2734612

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基本情報

CAS: 400-93-1
標準SMILES: CC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
分子式: C8H6FNO3
平均分子量: 183.14 g/mol
単同位体質量: 183.03317127

名称と識別子

優先名称: 4'-Fluoro-3'-nitroacetophenone
IUPAC: 1-(4-fluoro-3-nitrophenyl)ethanone
現地名: 4'-フルオロ-3'-ニトロアセトフェノン
英語名: 4'-Fluoro-3'-nitroacetophenone
分子式: C8H6FNO3
分子量: 183.14

名称と別名

4'-Fluoro-3'-nitroacetophenone400-93-11-(4-fluoro-3-nitrophenyl)ethanoneDTXSID60370392RefChem:506111DTXCID80321427626-780-84-Fluoro-3-nitroacetophenone1-(4-fluoro-3-nitrophenyl)ethan-1-oneMFCD00115369ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)-1-(4-fluoro-3-nitro-phenyl)ethanone

名称をさらに表示

4'-フルオロ-3'-ニトロアセトフェノン4′‐フルオロ‐3′‐ニトロアセトフェノン4′-FLUOR-3′-NITROACETOPHENON4′-フルオロ-3′-ニトロアセトフェノン4′-Fluor-3′-nitroacetophenon4-Fluoro-3-nitroacetophneone4-FLUORO-3'-NITROACETOPHENONE4'-Fluoro-3'-notroacetophenone4'-Fluoro-3'-nitroacetophenone>4'-Fluoro-3'-nitroacetophenone,98%

4'-Fluoro-3'-nitroacetophneone1-acetyl-4-fluoro-3-nitrobenzene3-NITRO-4-FLUOROACETOPHENONE1-(4-fluoro-3-nitrophenyl)-ethanone3'-NITRO-4'-FLUOROACETOPHENONE3-Nitro-4-fluoracetophenonSCHEMBL91574'-Fuoro-3'-nitroacetophenone

データベース識別子

CAS: 400-93-1
PubChem CID: 2734612
DTXSID: DTXSID60370392
EC Number: 626-780-8
Nikkaji: J2.016.130B

物性

構造計算による物性

XLogP: 1.5
極性表面積: 62.9 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: 13
形式電荷: 0
複雑度: 226

物理化学的性質

融点: 47 · 47-51 °C
沸点: 118 · 118-120°C 0,8mm
比重(密度): 1.336 · 1.336±0.06 g/cm3(Predicted)
闪点: 118 · 118-120°C/0.8mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: 結晶性粉末
色: ライトイエロー
BRN: 2211976 · 2211976
InChI: 1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChIKey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(F)c(c1)[N+]([O-])=O
CAS データベース: 400 · 400-93-1(CAS DataBase Reference)

化学的性質

化学的特性light yellow crystalline powder

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 45 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 (100%)

安全データ

wgk: 3
hs_code: 29143990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
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4''-Fluoro-3''-nitroacetophenone is used as reactant/reagent in preparation of substituted furans via copper-catalyzed radical addition of acetophenones to alkynes.