5-Amino-1-naphthol (HCID 65746)

名称と識別子

優先名称: 5-Amino-1-naphthol
IUPAC: 5-aminonaphthalen-1-ol
現地名: 5-アミノ-1-ナフトール
英語名: 5-Amino-1-naphthol
分子式: C10H9NO
分子量: 159.18

名称と別名

5-Amino-1-naphthol83-55-61-Naphthalenol, 5-amino-1-Amino-5-naphthol1-Amino-5-hydroxynaphthalene5-Hydroxy-1-naphthylamine1-Naphthol, 5-amino-AG7EQ6HH6BNSC-1499DTXSID1058894RefChem:532043DTXCID6048333

名称をさらに表示

5-アミノ-1-ナフトール1-アミノ-5-ナフトール5-アミノ-1-ナフタレノール5-アミノナフタレン-1-オール1-アミノナフタレン-5-オール5,1-ANL5-Amino-1-phthol5-Amino-1-naphtho15-amino-1-naphthaleno5-AMINO-1-NAPHTHOL 96%

201-486-95-aminonaphthalen-1-ol5-Amino-alpha-naphtholMFCD00041826C.I. 76650EINECS 201-486-9UNII-AG7EQ6HH6B5-Amino-.alpha.-naphthol

データベース識別子

CAS: 83-55-6
PubChem CID: 65746
DTXSID: DTXSID1058894
ChEMBL: CHEMBL1852875
UNII: AG7EQ6HH6B
EC Number: 201-486-9
Nikkaji: J70.179C

物性

構造計算による物性

XLogP: 1.5
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 190 °C · 190 °C (dec.) (lit.)
沸点: 284.68 °C · 284.68°C (rough estimate)
比重(密度): 1.1202 · 1.1202 (rough estimate)
屈折率: 1.607 · 1.6070 (estimate)
貯蔵温度: -20 °C · -20°C Freezer
溶解性: DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 3.97 · 3.97(at 25℃)
外見: 個体
色: 薄紫～紫
InChI: InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2
InChIKey: ZBIBQNVRTVLOHQ-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C(N)=CC=C2)=CC=C1
CAS データベース: 83 · 83-55-6(CAS DataBase Reference)
NISTの化学物質情報: 5 · 5-Amino-1-naphthol(83-55-6)
EPAの化学物質情報: 1 · 1-Naphthalenol, 5-amino- (83-55-6)

化学的性質

化学的特性pale purple to brown-purple crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 55 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (96.4%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29222990
risk_code: 36/37/38
化審法: (4)-363
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1-Naphthalenol, 5-amino-: ACTIVE

調製方法 · 1 件

製造方法1-Aminonaphthalene-5-sulfonic acid paste (Section 6.2) is added to molten sodium hydroxide at 200°C, and the reaction is completed by heating slowly to 250°C and maintaining this temperature for 3 h. After dilution and careful neutralization with hydrochloric acid, 5-amino-1-naphthol precipitates in 85 % yield (mp 192°C).