基本情報
- CAS
2106-05-0- 標準SMILES
Nc1cc(Cl)ccc1F- InChIKey
JCYROOANFKVAIB-UHFFFAOYSA-N- 分子式
- C6H5ClFN
- 平均分子量
- 145.56 g/mol
- 単同位体質量
- 145.009455
名称と識別子
- 優先名称
- 5-Chloro-2-fluoroaniline
- IUPAC
- 5-chloro-2-fluoroaniline
- 現地名
- 5-クロロ-2-フルオロアニリン
- 英語名
- 5-Chloro-2-fluoroaniline
- 分子式
- C6H5ClFN
- 分子量
- 145.56
名称と別名
5-Chloro-2-fluoroaniline2106-05-0JCYROOANFKVAIB-UHFFFAOYSA-DTXSID40175286EINECS 218-284-1NSC 10291RefChem:102302DTXCID7097777218-284-1InChI=1/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H25-Chloro-2-fluorophenylamineBenzenamine, 5-chloro-2-fluoro-
名称をさらに表示
5-クロロ-2-フルオロアニリン5‐クロロ‐2‐フルオロアニリン2-フルオロ-5-クロロアニリンBUTTPARK 44\01-985-Chloro-2-fluoroani5-Chloro-2-fluoroaniline>5-Chloro-2-fluoroaniline98%5-Chloro-2-fluoroaniline 98%5-Chloro-2-fluoroaniline, 97+%
MFCD00069416EMD2GPF3XZ2-fluoro-5-chloroanilineNSC-102915-chloro-2-fluoro-anilineNSC10291UNII-EMD2GPF3XZ5-chloro-2-fluorobenzenamine
データベース識別子
- CAS
2106-05-0- PubChem CID
- 75015
- DTXSID
DTXSID40175286- UNII
- EMD2GPF3XZ
- EC Number
- 218-284-1
- Nikkaji
- J298.696E
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 26 Ų
- 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
物理化学的性質
- 沸点
- 102 · 102-105 °C/20 mmHg (lit.)
- 比重(密度)
- 1.29 g/mL · 1.29 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.561(lit.)
- 闪点
- 219 °F · 219 °F
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 外見
- clear liquid
- 酸解離定数(Pka)
- 2.15 · 2.15±0.10(Predicted)
- 色
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
- InChIKey
- JCYROOANFKVAIB-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Cl)=CC=C1F
- CAS データベース
- 2106 · 2106-05-0(CAS DataBase Reference)
化学的性質
化学的特性Colorless liquid
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 4% (2 of 50) of reports.
Warning
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 50 reports by companies.；There are 8 notifications provided by 48 of 50 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationStatus: Active Update: 15-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/32105
Hazard Classes and CategoriesAcute Tox. 4 (10%)；Skin Irrit. 2 (96%)；Eye Irrit. 2 (96%)；STOT SE 3 (86%)
法規制情報
Regulatory InformationStatus: Active Update: 15-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/32105
化学と産業
応用分野
使用5-Chloro-2-fluoroaniline is also involved in the synthesis of glucocorticoid receptor agonist for inflammation treatments.
上流・下流製品情報
下流製品
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関連反応
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化合物ノート
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