CAS 2283-08-1 2-Hydroxy-1-naphthoic acid (HCID 16790)

名称と識別子

優先名称: 2-Hydroxy-1-naphthoic acid
IUPAC: 2-hydroxynaphthalene-1-carboxylic acid
現地名: 2-ヒドロキシ-1-ナフトエ酸
英語名: 2-Hydroxy-1-naphthoic acid
分子式: C11H8O3
分子量: 188.18

名称と別名

2-Hydroxy-1-naphthoic acid1-Naphthalenecarboxylic acid, 2-hydroxy-1-NAPHTHOIC ACID, 2-HYDROXY-E3H4QZ94UYNSC 2803NSC-2803EINECS 218-919-2UNII-E3H4QZ94UYAI3-19839DTXSID9062304RefChem:873421Naphthoic acid, 2hydroxy

名称をさらに表示

2-ヒドロキシ-1-ナフトエ酸オキシナフタリン-1-カルボン酸2-ヒドロキシ-1-ナフタレンカルボン酸ナフトール-1-カルボン酸2-ナフトール-1-カルボン酸2-ヒドロキシナフタレン-1-カルボン酸2-ヒドロキシ-1-ナフトエ酸, 98%AKOS 223-44RARECHEM AL BE 0092LABOTEST-BB LT004526442-HYDROXY-1-PHTHOIC ACID2-hydroxy-α-naphthoic acidNaphthol-1-carboxylic acid2-NAPHTHOL-1-CARBOXYLIC ACID2-Hydroxy-1-naphthoicAcid>

DTXCID10367591Naphthoic acid, 2hydroxy (8CI)1-Naphthoic acid, 2-hydroxy-(8CI)1Naphthalenecarboxylic acid, 2hydroxy218-919-2UPHOPMSGKZNELG-UHFFFAOYSA-N2283-08-12-hydroxynaphthalene-1-carboxylic acid

データベース識別子

CAS: 2283-08-1、30440-92-7
PubChem CID: 16790
DTXSID: DTXSID9062304
ChEMBL: CHEMBL2269234
UNII: E3H4QZ94UY
EC Number: 218-919-2、250-200-9
Nikkaji: J7.386E

物性

構造計算による物性

XLogP: 2.9
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 227

実験および物理化学的性質

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 167 °C · 167 °C (dec.) (lit.)
沸点: 283.17 °C · 283.17°C (rough estimate)
比重(密度): 1.21 · 1.2100 (rough estimate)
屈折率: 1.64 · 1.6400 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 1 · pK1:3.29;pK2:9.68 (20°C)
色: White to Light red to Green
BRN: 975575 · 975575
InChI: 1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)
InChIKey: UPHOPMSGKZNELG-UHFFFAOYSA-N
SMILES: OC(=O)c1c(O)ccc2ccccc12
CAS データベース: 2283 · 2283-08-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Naphthalenecarboxylic acid, 2-hydroxy- (2283-08-1)

化学的性質 · 1 件

化学的特性2-Hydroxy-1-naphthoic acid [2283-08-1], C11H8O3, Mr 188.17, has a mp of 156 – 157℃ (decomp. to 2-naphthol and CO2). The monosodium salt is unstable in hot aqueous solution. 2- Hydroxy-1-naphthoic acid is decarboxylated by nitrous acid, forming 1-nitroso-2-naphthol, and by diazo salts, forming a 1-azo-2-naphthol. An ethanolic solution of 2-hydroxy-1-naphthoic acid gives a dark blue color with iron(III) chloride. Chlorosulfonic acid at 30℃ gives the 6-sulfonyl chloride derivative.

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 (97.8%): 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 45 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

Regulatory Information · 2 件

Chemical: 1-Naphthalenecarboxylic acid, 2-hydroxy-

1-Naphthalenecarboxylic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

法規制情報

Regulatory Information · 2 件

Chemical: 1-Naphthalenecarboxylic acid, 2-hydroxy-

1-Naphthalenecarboxylic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.