CAS 153-78-6 2-Aminofluorene (HCID 1539)

基本情報

CAS: 153-78-6
標準SMILES: Nc1ccc2c(c1)Cc1ccccc1-2
InChIKey: CFRFHWQYWJMEJN-UHFFFAOYSA-N
分子式: C13H11N
平均分子量: 181.238 g/mol
単同位体質量: 181.08914935

名称と識別子

優先名称: 2-Aminofluorene
IUPAC: 9H-Fluoren-2-amine
現地名: 2-アミノフルオレン
英語名: 2-Aminofluorene
分子式: C13H11N
分子量: 181.23

名称と別名

2-アミノフルオレン9H-フルオレン-2-アミン2-アミノ-9H-フルオレン2-フルオレンアミン2‐アミノフルオレン標準品2-アミノフルオレン IN TOLUENE2-アミノフルオレン, 100 µg/mL in Toluene2-アミノフルオレン標準品2-FLUORENAMINE9H-FLUOREN-2-AMINE2-AF2-AminofL

名称をさらに表示

Aminofluoren2-AMinofluorAKOS AUF020472-Aminoflorene2-amino-fluoren2-FLUORENEAMINE

データベース識別子

CAS: 153-78-6
PubChem CID: 1539
DTXSID: DTXSID1049223
ChEMBL: CHEMBL84472
UNII: 3A69OS195N
EC Number: 205-817-8
Nikkaji: J2.446.773B、J3.274C

物性

物理化学的性質

融点: 124 · 124-128 °C (lit.)
沸点: 304.35 °C · 304.35°C (rough estimate)
比重(密度): 1.0941 · 1.0941 (rough estimate)
屈折率: 1.6118 · 1.6118 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Ether,Alcohol
外見: powder to crystal
酸解離定数(Pka): 4.34 · 4.34±0.20(Predicted)
色: White to Orange to Green
水溶解度: 0.1 g/100 · <0.1 g/100 mL で 19.5 ºC
BRN: 1945861 · 1945861
Henry's Law Constant: 2.7 · 2.7×102 mol/(m3Pa) at 25℃, HSDB (2015)
InChI: InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
InChIKey: CFRFHWQYWJMEJN-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C2=C1C=C(N)C=C2
CAS データベース: 153 · 153-78-6(CAS DataBase Reference)
NISTの化学物質情報: -2 · Fluoren-2-amine(153-78-6)
EPAの化学物質情報: 2 · 2-Aminofluorene (153-78-6)

化学的性質

化学的特性WHITE TO SLIGHTLY BROWN CRYSTALLINE POWDER

安全と法規制

安全データ

wgk: 3
rtecs: LL5075000
hs_code: 29214980
risk_code: 68-40
hazard_code: Xn
safety_code: 45-36/37-24/25
Hazard Classifications: Aquatic Chronic 2Carc. 2
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 153-78-6(Hazardous Substances Data)

化学と産業

応用分野 · 2 件

使用PAAs are used in the rubber, textile, and dye industries. They are used as intermediates in the manufacture of plastics, drugs, and carbamate pesticides. The aromatic amines 2-aminofluorene and N-acetyl aminofluorene were being developed during the 1930s for use as pesticides; however, they were found to be carcinogenic in laboratory animals. They were never marketed as pesticides.

一般的な説明Brown crystal powder.

調製方法

純化方法Wash the amine well with H2O and recrystallise it from Et2O or 50% aqueous EtOH (25g with 400mL), and dry it in a vacuum. Store it in the dark. [Bavin Org Synth Coll Vol V 30 1973, Beilstein 12 H 1331, 12 IV 337.]