4-Fluoro-3-nitroaniline (HCID 67768)

概要

4-fluoro-3-nitroaniline is a nitroaniline and an organofluorine compound.

名称と識別子

優先名称: 4-Fluoro-3-nitroaniline
IUPAC: 4-fluoro-3-nitroaniline
現地名: 4-フルオロ-3-ニトロアニリン
英語名: 4-Fluoro-3-nitroaniline
分子式: C6H5FN2O2
分子量: 156.11

名称と別名

4-Fluoro-3-nitroaniline364-76-13-Nitro-4-fluoroaniline4-Fluoro-3-nitrobenzenamineBenzenamine, 4-fluoro-3-nitro-DTXSID5052042R8DY9W4LRVNSC-10293DTXCID6030609CHEBI:48642RefChem:523234206-665-5

名称をさらに表示

4-フルオロ-3-ニトロアニリン3-ニトロ-4-フルオロアニリン3ニトロ4フルオロアニリン4‐フルオロ‐3‐ニトロアニリン5-AMINO-2-FLUORONITROBENZENE4-F-3NAuoro-3-nitroaniL4-Fluoro-3-nitroanil4-Fluor-3-nitroanilin4-fluoro-3-nitro-anilin4-Fluoro-3-phenylnitramine

4-Fluoro-3-nitro-anilineAniline, 4-fluoro-3-nitro-C6H5FN2O2MFCD000078333-nitro-4-fluoro aniline4-fluoro-3-nitro aniline4-fluoro-3-nitrophenylamineNSC 10293

データベース識別子

CAS: 364-76-1
PubChem CID: 67768
DTXSID: DTXSID5052042
ChEBI: CHEBI:48642
UNII: R8DY9W4LRV
EC Number: 206-665-5
Nikkaji: J60.428C

物性

構造計算による物性

XLogP: 0.8
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

Chemical ClassesNitrogen Compounds -> Nitroanilines

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionYellow or gold powder; [Alfa Aesar MSDS]

Ionization Efficiency · 6 件

Positive

3.65

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

融点: 94 · 94-96 °C (lit.)
沸点: 331.3 · 331.3±22.0 °C(Predicted)
比重(密度): 0.43 g/cm3 · 0.43 g/cm3 (20℃)
闪点: 196 °F · 196 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 粉
酸解離定数(Pka): 2.36 · 2.36±0.10(Predicted)
色: 黄土
水溶解度: 不溶性
BRN: 2210199 · 2210199
InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C([N+]([O-])=O)=C1
CAS データベース: 364 · 364-76-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzenamine, 4-fluoro-3-nitro-(364-76-1)
EPAの化学物質情報: 4 · 4-Fluoro-3-nitroaniline (364-76-1)

化学的性質

化学的特性whitetolightyellowcrystalpowde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information4-Fluoro-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes changes in bladder weight, change in clotting factors, and changes in erythrocyte count in 90-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; May induce methemoglobinemia; [Alfa Aesar MSDS] See 4-Chloro-2-nitroaniline, 2-Chloro-5-nitroaniline, and 1-Amino-2-chloro-4-nitrobenzene.

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Toxicity DataLC50 (rat) > 200,000 mg/m3/1hr

安全データ

wgk: 2
tsca: TSCA listed
rtecs: BY1700000
ridadr: UN 1325 4.1/PG 2
hs_code: 29214210
risk_code: 20/21/22-36/37/38-22
消防法: 危-5-NC-1-I
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37-37/39-26
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-fluoro-3-nitro-: ACTIVE

応用分野

用途有機合成原料。

使用4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.