2-クロロ-3-フルオロアニリン

2-Chloro-3-fluoroaniline

HCID 88884CAS 21397-08-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc(F)c1Cl
InChIKey: FJKIADFDXOCBRV-UHFFFAOYSA-N
分子式: C6H5ClFN
平均分子量: 145.56 g/mol
単同位体質量: 145.00945506

名称と識別子

優先名称: 2-Chloro-3-fluoroaniline
IUPAC: 2-chloro-3-fluoroaniline
現地名: 2-クロロ-3-フルオロアニリン
英語名: 2-Chloro-3-fluoroaniline
分子式: C6H5ClFN
分子量: 145.56

名称と別名

2-Chloro-3-fluoroaniline21397-08-02-chloro-3-fluorobenzenamineEINECS 244-366-1DTXSID30175659RefChem:468680DTXCID8098150244-366-12-chloro-3-fluoro aniline2-Chloro-3-fluoro-anilineMFCD03407961Benzenamine, 2-chloro-3-fluoro-

名称をさらに表示

2-クロロ-3-フルオロベンゼンアミン2-クロロ-3-フルオロアニリン2‐クロロ‐3‐フルオロアニリンBUTTPARK 44\01-952-Chloro-3-fluoroaniline98%2-Chloro-3-fluoroaniline 98%2-chloro-3-fluorobenzeneamine2-Chloro-3-fluoroaniline, 97%2-Chloro-3-fluoroaniline, 95+%(2-chloro-3-fluoro-phenyl)amine2-Chloro-3-fluoroaniline ISO 9001：2015 REACH

SCHEMBL1088842-chloro-3-fluoro-phenylamineFJKIADFDXOCBRV-UHC57TJ6HK3A2-chloro-3-fluorophenylamineAniline, 2-chloro-3-fluoro-SCHEMBL6825826SCHEMBL8880192

データベース識別子

CAS: 21397-08-0
PubChem CID: 88884
DTXSID: DTXSID30175659
UNII: C57TJ6HK3A
EC Number: 244-366-1
Nikkaji: J226.194D

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99.1

物理化学的性質

沸点: 210.3 · 210.3±20.0 °C(Predicted)
比重(密度): 1.349 · 1.349±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
酸解離定数(Pka): 1 · 1+-.0.10(Predicted)
色: Clear, almost colourless (hint of lime)
InChI: InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey: FJKIADFDXOCBRV-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(F)=C1Cl
CAS データベース: 21397 · 21397-08-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, 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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (20%)

安全データ

hs_code: 2921420090
risk_code: 23/24/25
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 36/37/39-45

化学と産業

応用分野 · 1 件

説明2-Chloro-3-fluoroaniline can be used as an intermediate for organic synthesis. 2-Chloro-3-fluoro nitrobenzene can be produced from 3-fluoro nitrobenzene by chlorination, and then 2-Chloro-3-fluoroaniline is obtained by reduction of nitro, and the reducing agent can be chosen from tin chloride and iron powder.