基本情報
- 標準SMILES
Nc1cccc2cccnc12- InChIKey
WREVVZMUNPAPOV-UHFFFAOYSA-N- 分子式
- C9H8N2
- 平均分子量
- 144.17 g/mol
- 単同位体質量
- 144.06874826
名称と識別子
- 優先名称
- 8-Aminoquinoline
- IUPAC
- quinolin-8-amine
- 現地名
- 8-アミノキノリン
- 英語名
- 8-Aminoquinoline
- 分子式
- C9H8N2
- 分子量
- 144.17
名称と別名
名称をさらに表示
データベース識別子
- CAS
578-66-5- PubChem CID
- 11359
- DTXSID
DTXSID4060369- ChEMBL
CHEMBL99932- UNII
- U34EAV21TG
- EC Number
- 209-427-9
- Nikkaji
- J1.629B
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 38.9 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
- 11
- 形式電荷
- 0
- 複雑度
- 136
実験および物理化学的性質
物理化学的性質
- 融点
- 60 · 60-65 °C (lit.)
- 沸点
- 174 °C/26 · 174 °C/26 mmHg (lit.)
- 比重(密度)
- 1.1148 · 1.1148 (estimate)
- 屈折率
- 1.708 · 1.7080 (estimate)
- 闪点
- 174 °C/26mm · 174°C/26mm
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 酸解離定数(Pka)
- 1 · pK1: 3.99(+1) (20°C,μ=0.01)
- 外見
- 結晶性粉末
- 色
- グリーンからベージュブラウン
- 水溶解度
- わずかに溶ける
- BRN
- 114474 · 114474
- InChI
- 1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
- InChIKey
- WREVVZMUNPAPOV-UHFFFAOYSA-N
- SMILES
- Nc1cccc2cccnc12
- CAS データベース
- 578 · 578-66-5(CAS DataBase Reference)
- NISTの化学物質情報
- 8 · 8-Quinolinamine(578-66-5)
- EPAの化学物質情報
- 8 · 8-Quinolinamine (578-66-5)
化学的性質
化学的特性green to beige-brown crystalline powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (19.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (11.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 Information
Chemical: 8-Quinolinamine
8-Aminoquinoline: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: 8-Quinolinamine
8-Aminoquinoline: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VA9627000
- ridadr
- UN2811
- 毒性
- mmo-sat 50 mg/plate MUREAV 39,285,77
- hs_code
- 29334990
- risk_code
- 68-36/37/38-20/21/22-36/38
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant/Air Sensitive
- safety_code
- 36/37/39-26-22-36
- hazard_class
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
使用8-Aminoquinoline is used as pesticide and pharmaceutical intermediate. It has been used in the preparation of base-stabilized terminal borylene complex of osmium. It is also used in the spectrophotometric determination of bivalent palladium.
一般的な説明8-Aminoquinoline fluoresce moderately to weakly in low dielectric media but not in strongly hydrogen-bonding or acidic aqueous media. The reaction of 8-aminoquinoline with chromium (III), manganese (II), iron (II) and (III), cobalt (II), nickel (II), copper (II), zinc (II), cadmium (II) and platinum (II) salts has been studied.
調製方法
製造方法Synthesis of 8-aminoquinoline: Under an ice bath, sulfuric acid (2.0 mL) was added onto quinoline (5 mmol, 1.0 equiv) then 65% nitric acid (3.0 equiv) were added dropwise and stirred for 4h at rt. The mixture was poured into the ice water and neutralized with NaOH; and then extracted with dichloromethane. After dried over Na2SO4 and evaporated in vacuo, used next step without purification.Mixture of nitroquinolines and 5% Pd/C was solved in ethanol and suspension was saturated with hydrogen gas under atmospheric pressure at 40°C until the starting material was consumed. 2 h later, the mixture was filtered and evaporated. The crude product was purified by silica gel column chromatography, eluting with EtOAc in hexanes to yield the desired 8-aminoquinoline is isolated as a brown solid in a yield of 32%.Obtained as a brown solid (231 mg, 32%); 1H NMR (500 MHz, CDCl3) δ 8.71 – 8.60 (m, 1H), 7.93 (d, J = 8.2 Hz, 1H), 7.29 – 7.16 (m, 2H), 7.02 (d, J = 8.1 Hz, 1H), 6.80 (d, J = 7.4 Hz, 1H), 4.89 (s, 2H).
純化方法8-Aminoquinoline crystallises from EtOH, ligroin, octane or H2O, and complexes with metals. [Beilstein 22 III/IV 4708, 22/10 V 316.]
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下流製品
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