CAS 79110-05-7 1-(2-Fluoro-5-nitrophenyl)ethan-1-one (HCID 2781067)

基本情報

CAS: 79110-05-7
標準SMILES: CC(=O)c1cc([N+](=O)[O-])ccc1F
InChIKey: BCXOSCQTHVTUET-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: 1-(2-Fluoro-5-nitrophenyl)ethan-1-one
IUPAC: 1-(2-fluoro-5-nitrophenyl)ethanone
現地名: 2'-フルオロ-5'-ニトロアセトフェノン
英語名: 1-(2-Fluoro-5-nitrophenyl)ethan-1-one
分子式: C8H6FNO3
分子量: 183.14

名称と別名

79110-05-71-(2-fluoro-5-nitrophenyl)ethan-1-oneDTXSID70381732RefChem:223455DTXCID00332757639-356-21-(2-fluoro-5-nitrophenyl)ethanone2'-Fluoro-5'-nitroacetophenone2-fluoro-5-nitroacetophenoneMFCD002778671-(2-fluoro-5-nitro-phenyl)ethanoneAKOS005254352

名称をさらに表示

2'-フルオロ-5'-ニトロアセトフェノン2'-Fluoro-5'-nitroacetophenone 96%Ethanone,1-(2-fluoro-5-nitrophenyl)-1-(2-Fluoro-5-nitrophenyl)ethan-1-one ISO 9001：2015 REACH1-(2-Fluoro-5-nitrophenyl)ethan-1-one, 3-Acetyl-4-fluoronitrobenzene

DS-1648AC-26551SY021875ETHANONE, 1-(2-FLUORO-5-NITROPHENYL)-BCP18512FT-06480531-(2-FLUORO-5-NITRO-PHENYL)-ETHANONE2-Fluoro-5nitroacetophenone

データベース識別子

CAS: 79110-05-7
PubChem CID: 2781067
DTXSID: DTXSID70381732
EC Number: 639-356-2
Nikkaji: J1.650.348G

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: 53 · 53-54 °C
沸点: 241 · 241.0±20.0 °C(Predicted)
比重(密度): 1.336 · 1.336±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Yellow to Green
InChI: InChI=1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
InChIKey: BCXOSCQTHVTUET-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC([N+]([O-])=O)=CC=C1F)C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.