基本情報
- CAS
1198-27-2- 標準SMILES
Cl.Nc1c(O)ccc2ccccc12- InChIKey
DEKREBCFNLUULC-UHFFFAOYSA-N- 分子式
- C10H10ClNO
- 平均分子量
- 195.64 g/mol
- 単同位体質量
- 195.0450916
名称と識別子
- 優先名称
- 1-Amino-2-naphthol hydrochloride
- IUPAC
- 1-aminonaphthalen-2-ol;hydrochloride
- 現地名
- 1-アミノ-2-ナフトール 塩酸塩
- 英語名
- 1-Amino-2-naphthol hydrochloride
- 分子式
- C10H10ClNO
- 分子量
- 195.65
名称と別名
名称をさらに表示
データベース識別子
- CAS
1198-27-2- PubChem CID
- 518469
- DTXSID
DTXSID70883665- UNII
- XM2LZU54OW
- EC Number
- 214-830-8
物性
構造計算による物性
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 160
実験および物理化学的性質
物理化学的性質
- 融点
- 250 °C · 250 °C (dec.)(lit.)
- 貯蔵温度
- Hygroscopic, Refrigerator, under inert atmosphere
- 溶解性
- DMSO(微量)、メタノール(微量)
- 外見
- 個体
- 色
- 紫の
- 水溶解度
- 溶ける
- BRN
- 3699817 · 3699817
- InChI
- 1S/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H
- InChIKey
- DEKREBCFNLUULC-UHFFFAOYSA-N
- SMILES
- Cl.Nc1c(O)ccc2ccccc12
- CAS データベース
- 1198 · 1198-27-2(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Naphthalenol, 1-amino-, hydrochloride (1198-27-2)
化学的性質
化学的特性lilac to light grey fluffy powder
安全と法規制
GHS分類
GHS Classification
Warning
H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (91.5%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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
法規制情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QL3335000
- hs_code
- 29222990
- risk_code
- 20/21/22-36/37/38-40
- 化審法
- (4)-363
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-27-36/37/39
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye 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
応用分野
用途有機合成用原料。
使用1-Amino-2-naphthol hydrochloride was used in a study on degradation of the azo dye Acid Orange 7 in batch anaerobic unstirred assay.
一般的な説明1-Amino-2-naphthol undergoes condensation with methylene-substituted azaheterocycles in presence of an oxidizing agent to yield photochromic spirooxazines.
調製方法
純化方法Crystallise the salt from the minimum volume of hot water containing a few drops of stannous chloride in an equal weight of hydrochloric acid (to reduce atmospheric oxidation). Filter the solution and add half its volume of conc HCl and set aside. The salt crystallises almost quantitatively. Dry it in a vacuum in the dark (m 260o). The salt is more stable than the free base which has m 150o (darkening at 130o) and its O-methyl ether has m 49o and b 159-159o/9mm. [Desai et al. J Chem Soc 324 1938, Beilstein 13 H 666, 13 I 268, 13 II 408, 13 III 1875, 13 IV 2080.]
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