4-フルオロニトロベンゼン
p-Fluoronitrobenzene
基本情報
- CAS
350-46-9- 標準SMILES
O=[N+]([O-])c1ccc(F)cc1- InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-N- 分子式
- C6H4FNO2
- 平均分子量
- 141.1 g/mol
- 単同位体質量
- 141.02260653
名称と識別子
- 優先名称
- p-Fluoronitrobenzene
- IUPAC
- 1-fluoro-4-nitrobenzene
- 現地名
- 4-フルオロニトロベンゼン
- 英語名
- 4-Fluoronitrobenzene
- 分子式
- C6H4FNO2
- 分子量
- 141.1
名称と別名
p-FluoronitrobenzeneRefChem:4328404-Fluoronitrobenzene1-FLUORO-4-NITROBENZENE350-46-9p-Nitrofluorobenzene4-NitrofluorobenzeneBenzene, 1-fluoro-4-nitro-4-Fluoro-1-nitrobenzene1-Nitro-4-fluorobenzene178603-76-41-Fluoro-4-nitro-benzene
名称をさらに表示
4-フルオロニトロベンゼン4-フルオロ-1-ニトロベンゼンp-フルオロニトロベンゼン1-ニトロ-4-フルオロベンゼンp-フルオロ-1-ニトロベンゼンp-ニトロフルオロベンゼン4-ニトロフェニルフルオリド1-フルオロ-4-ニトロベンゼン4-ニトロ-1-フルオロベンゼンpフルオロニトロベンゼンP‐フルオロニトロベンゼン4-FluornitrobenzolFluoro-4-nitrobenzFluoronitrobenzene3p-fluoromitrobenzene
MFCD000072824-nitro-1-fluorobenzeneNSC 10281para-fluoronitrobenzene1,4-FluoronitrobenzeneBenzene, 1-fluoro-4-nitro-, labeled with carbon-14 (9CI)A2M2FH7XHHNSC-10281
データベース識別子
- CAS
350-46-9- PubChem CID
- 9590
- DTXSID
DTXSID9022025- ChEMBL
CHEMBL163729- UNII
- A2M2FH7XHH
- EC Number
- 206-502-8
- Nikkaji
- J47.809A
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 45.8 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 126
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.89
Density1.3300 @ 20 °C/4 °C
Color/FormYELLOW NEEDLES
SolubilitySOL IN ALCOHOL, ETHER; INSOL IN WATER
Boiling Point206-207 °C
Melting Point27 °C
Vapor Pressure0.29 [mmHg]
Refractive IndexMAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0); 263 NM (LOG E= 3.9); INDEX OF REFRACTION: 1.5316 @ 20 °C/D
Physical DescriptionYellow solid; [HSDB] Liquid or low melting solid; mp = 22-24 deg C; [MSDSonline]
Other Experimental PropertiesUV: 9648 (Sadtler Research Laboratories Spectral Collection) /Benzene, 1-fluoro-3-nitro/
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 102) of reports.
Danger
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzene, 1-fluoro-4-nitro-
REACH registered substance: 1-fluoro-4-nitrobenzene (EC: 206-502-8)
1-Fluoro-4-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] An irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (88.2%)
毒性情報
Ecotoxicity ValuesLC50 Pimephales promelas (fathead minnow) 28.4 mg/l 96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/l CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 2,600 mg/m3/4h
化学と産業
薬理情報
Metabolism/MetabolitesYIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/
用途と製造
Uses
Used as a component in hair dyes; [HSDB]
Dressing Hair [Category: Other]
A COMPONENT OF HAIR DYES
General Manufacturing InformationBenzene, 1-fluoro-4-nitro-: ACTIVE
応用分野
用途有機合成原料。
使用1-Fluoro-4-nitrobenzene used as a component of hair dyes, as pharmaceutical intermediates. It is also used for the preparation of novel soluble aromatic polyimides
調製方法
純化方法Crystallise it from EtOH. [Beilstein 5 H 241, 5 IV 719.]
上流・下流製品情報
上流原料
関連反応
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