2-フルオロアニリン
2-Fluoroaniline
基本情報
- CAS
348-54-9- 標準SMILES
Nc1ccccc1F- InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N- 分子式
- C6H6FN
- 平均分子量
- 111.12 g/mol
- 単同位体質量
- 111.04842741
概要
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
名称と識別子
- 優先名称
- 2-Fluoroaniline
- IUPAC
- 2-fluoroaniline
- 現地名
- 2-フルオロアニリン
- 英語名
- 2-Fluoroaniline
- 分子式
- C6H6FN
- 分子量
- 111.12
名称と別名
2-FLUOROANILINE348-54-9o-Fluoroaniline1-Amino-2-fluorobenzene2-Fluorobenzenamine2-fluorophenylamineSE32ZK6617NSC-10299DTXSID8059843CHEBI:27526RefChem:87141DTXCID1038905
名称をさらに表示
2-フルオロアニリン2-フルオロフェニルアミン2-フルオロベンゼンアミンo-フルオロアニリンoフルオロアニリン2‐フルオロアニリン2-fluroanilineAKOS 911392-FluoranilinFLUOROANILINE-2AKOS BBS-000036281BO-Fluoroaniline
206-478-9Benzenamine, 2-fluoro-2-Fluoro-phenylamineAniline, o-fluoro-o-aminofluorobenzeneMFCD00007642Aniline, 2-fluoro-Telmisartan Impurity U
データベース識別子
- CAS
348-54-9- PubChem CID
- 9584
- DTXSID
DTXSID8059843- ChEMBL
CHEMBL195328- ChEBI
CHEBI:27526- UNII
- SE32ZK6617
- EC Number
- 206-478-9
- Nikkaji
- J60.426G
物性
構造計算による物性
- XLogP
- 1.3
- 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
- 8
- 形式電荷
- 0
- 複雑度
- 74.9
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.26
Density1.1513 at 69.8 °F (USCG, 1999) - Denser than water; will sink
Flash Point140 °F (USCG, 1999)
Boiling Point347 °F at 760 mmHg (USCG, 1999)
Melting Point-19.3 °F (USCG, 1999)
Vapor Pressure1.0 [mmHg]
Physical Description
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
Clear to pale yellow liquid with a mild sweet odor; [CHRIS]
Dissociation Constants3.2 (at 25 °C)
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
Danger
H226 (46%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23416
2-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Irritating and toxic hydrogen fluoride and oxides of nitrogen may form in fires. (USCG, 1999)
Health Hazards
Inhalation or ingestion causes bluish tint to fingernails, lips and ears indicative of cyanosis; headache, drowsiness, and nausea, followed by unconsciousness. Liquid can be absorbed through skin and cause similar symptoms. Contact with eyes causes irritation. (USCG, 1999)
Hazards Summary
Causes methemoglobinemia in acute oral studies of rats; [RTECS] An eye irritant; Exposure may cause cyanosis, headache, nausea, and unconsciousness; Can be absorbed through skin; [CHRIS] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See 2-Chloroaniline.
化学と産業
用途と製造
General Manufacturing InformationBenzenamine, 2-fluoro-: ACTIVE
応用分野
用途ジルコニウムの沈殿剤、有機合成原料、フタル酸塩製造原料
使用2-Fluoroaniline (cas# 348-54-9) is a useful reagent for the synthesis of insecticides.
一般的な説明Clear liquid with a mild sweet odor. Sinks in and mixes slowly with water.
上流・下流製品情報
上流原料
下流製品
関連反応
457 件
化合物ノート
読み込み中…