2-Fluoroaniline (HCID 9584)

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 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: 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)

物理化学的性質

融点: -29 °C · -29 °C
沸点: 182 · 182-183 °C(lit.)
比重(密度): 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
蒸気圧: 1 hPa · 1 hPa (20 °C)
屈折率: 20 · n20/D 1.544(lit.)
闪点: 140 °F · 140 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 17 g/リットル · 17g/リットル
外見: 液体
酸解離定数(Pka): 3.2 · 3.2(at 25℃)
色: 無色透明
比重: 1.151 · 1.151
水溶解度: 17 g/L · 17g/L(20℃)
BRN: 1524219 · 1524219
Henry's Law Constant: 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: 1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey: FTZQXOJYPFINKJ-UHFFFAOYSA-N
SMILES: Nc1ccccc1F
CAS データベース: 348 · 348-54-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2-fluoro-(348-54-9)
EPAの化学物質情報: o-Fluoroaniline (348-54-9)

化学的性質 · 1 件

化学的特性2-Fluoroaniline is a clear colorless to brown liquid, toxic, insoluble in water, soluble in ethanol and ether, its vapor and air can form an explosive mixture, which can cause combustion and explosion in case of fire and high heat. Reacts with oxidants. Decomposed by high heat to release toxic gases.

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 2 件

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 · 1 件

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 · 1 件

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.

Reactive GroupAryl Halides

安全と保護具

Fire FightingFire Extinguishing Agents: Water, dry chemical, foam or carbon dioxide (USCG, 1999)

First AidINHALATION: Remove victim from exposure immediately; if needed, administer oxygen; refer to physician.

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Personal Protective Equipment (PPE)Rubber gloves; chemical goggles; protective clothing; approved respirator. (USCG, 1999)

毒性情報

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: BY1390000
ridadr: UN 2941 6.1/PG 3
hs_code: 29214210
risk_code: 22-37/38-41-36/38-33-23/24/25
化審法: (3)-222
消防法: 危-4-2-III
hazard_code: Xn,T,Xi
hazard_note: Toxic/Irritant
safety_code: 26-39-37/39-45-36/37-28
hazard_class: 6.1
packing_group: III
自然発火温度: 600 °C
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1CSTOT RE 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-fluoro-: ACTIVE

応用分野 · 3 件

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

Ethyl 2-fluoropropionate 2-クロロニトロベンゼンふっ化カリウム水素 5-ブロモ-2-フルオロアニリン 4-ブロモ-1-フルオロ-2-ニトロベンゼン

下流製品

フルフェノクスロンカルフェントラゾンエチル 4-ブロモ-2-フルオロベンゾニトリルイソシアン酸2-フルオロフェニル N-(2-フルオロフェニル)ピペラジン塩酸塩 4-クロロ-2-フルオロアニリン 3-ブロモフルオロベンゼン N,N-ジメチル-1H-インドール-3-エタンアミン (S)-3-Amino-5-methyl-2,3-dihydrobenzo[b][1,4]oxazepin-4(5H)-one HCl 2-フルオロ-N-メチルアニリン 2-ブロモ-3-フルオロフェニルアミン

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: 2-fluoroaniline is a derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate It is a primary arylamine and a fluoroaniline.

2-フルオロアニリン

基本情報

概要