4-Fluoro-2-nitroaniline (HCID 67769)

名称と識別子

優先名称: 4-Fluoro-2-nitroaniline
IUPAC: 4-fluoro-2-nitroaniline
現地名: 4-フルオロ-2-ニトロアニリン
英語名: 4-Fluoro-2-nitrobenzeneamine
分子式: C6H5FN2O2
分子量: 156.11

名称と別名

4-Fluoro-2-nitroaniline364-78-3Benzenamine, 4-fluoro-2-nitro-EINECS 206-666-0NSC 402980PUGDHSSOXPHLPT-UHFFFAOYSA-DTXSID20189922RefChem:98962DTXCID80112413206-666-0InChI=1/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2PUGDHSSOXPHLPT-UHFFFAOYSA-N

名称をさらに表示

4-フルオロ-2-ニトロアニリン2-ニトロ-4-フルオロアニリン4フルオロ2ニトロアニリン4‐フルオロ‐2‐ニトロアニリンuoro-2-nitroaniL4-Fluoro-2-nitrobenz4-fluoro-2-nitroanile4-Fluor-2-nitro-aniline4-Fluoro-2-nitroaniline97%4-Fluoro-2-nitroaniline>4-Fluoro-2-nitroaniline,98%

4-Fluoro-2-nitrobenzeneamine2-nitro-4-fluoroaniline4-FLUORO-2-NITROBENZENAMINE4-Fluoro-2-nitrophenylamine4-fluoro-2-nitro-anilineMFCD000078304-Fluoro-2-nitrioaniline4-Fluoro-2-nitro-phenylamine

データベース識別子

CAS: 364-78-3
PubChem CID: 67769
DTXSID: DTXSID20189922
ChEMBL: CHEMBL4556558
UNII: 3ETQ4SN24P
EC Number: 206-666-0
Nikkaji: J193.869J

物性

構造計算による物性

XLogP: 1.3
極性表面積: 71.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 159

実験および物理化学的性質

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学的性質

融点: 90 · 90-94 °C (lit.)
沸点: 295.1 · 295.1±20.0 °C(Predicted)
比重(密度): 1.3822 · 1.3822 (estimate)
闪点: 193 °F · 193 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): -0.11 · -0.11±0.10(Predicted)
外見: 結晶性粉末
色: オレンジからブラウン
水溶解度: 不溶性
BRN: 2210197 · 2210197
InChI: InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1[N+]([O-])=O
CAS データベース: 364 · 364-78-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Fluoro-2-nitroaniline(364-78-3)

化学的性質

化学的特性orange to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 6 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 CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29214200
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37-36/37/39
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye 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 · 3 件

用途有機合成原料。

使用4-Fluoro-2-nitroaniline is used as a reagent in the preparation of 4-fluoro-o-phenylenediamine, 4-fluoro-N-ethyl-2-nitroaniline and N-(4-fluoro-2-nitrophenyl)-beta-alanine. It is also employed as a pharmaceutical intermediate. It acts as monodendate O-bonded ligand used in the coordination chemistry to form complexes with copper(II), nickel(II) and cobalt(II).

一般的な説明4-Fluoro-2-nitroaniline forms complexes with cobalt(II), nickel(II) and copper(II).