Methyl 3-hydroxy-2-naphthoate (HCID 70163)

名称と識別子

優先名称: Methyl 3-hydroxy-2-naphthoate
IUPAC: methyl 3-hydroxynaphthalene-2-carboxylate
現地名: 3-ヒドロキシ-2-ナフトエ酸メチル
英語名: Methyl 3-hydroxy-2-naphthoate
分子式: C12H10O3
分子量: 202.21

名称と別名

Methyl 3-hydroxy-2-naphthoate883-99-82-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester3-HYDROXY-2-NAPHTHOIC ACID METHYL ESTER2-Hydroxy-3-naphthoic acid methyl esterMethyl 2-hydroxy-3-naphthoateMethyl 3-hydroxy-2-naphthalenecarboxylate2-Naphthoic acid, 3-hydroxy-, methyl esterQCA37S018NEINECS 212-936-9NSC 25175NSC-25175

名称をさらに表示

3-ヒドロキシ-2-ナフトエ酸メチル3-ヒドロキシ-2-ナフタレンカルボン酸メチル3-ヒドロキシナフタレン-2-カルボン酸メチル3-(メトキシカルボニル)-2-ナフトール2-ヒドロキシ-3-ナフトエ酸メチル3‐ヒドロキシ‐2‐ナフトエ酸メチルメチル 3-ヒドロキシナフタレン-2-カルボキシラートMETHYL B-HYDROXYNAPHTHOATEMethyl hydroxy-2-naphthoateMethyl-3-hydroxy-2-naphthoatMETHYL BETA-HYDROXYNAPHTHOATEMethyl3-Hydroxy-2-naphthoate>Methyl 3-hydroxy-2-naphthoate, 98+%beta-Hydroxynaphthoic acid methyl ester

3-carbomethoxy-2-naphthol3-(METHOXYCARBONYL)-2-NAPHTHOL3-Hydroxy-2-naphthalenecarboxylic acid methyl esterAI3-30205DTXSID8061260methyl 2-hydroxynaphthalene-3-carboxylateMETHYL 2-HYDROXY-3-NAPHTHOIC ACID2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID METHYL ESTER

データベース識別子

CAS: 883-99-8
PubChem CID: 70163
DTXSID: DTXSID8061260
UNII: QCA37S018N
EC Number: 212-936-9
Nikkaji: J131.974D

物性

構造計算による物性

XLogP: 3.2
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 239

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 73 · 73-75 °C (lit.)
沸点: 205 · 205-207 °C (lit.)
比重(密度): 1.1868 · 1.1868 (rough estimate)
屈折率: 1.544 · 1.5440 (estimate)
闪点: 205 · 205-207°C/160mm
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.36 · 9.36±0.40(Predicted)
色: Light yellow to Yellow to Orange
BRN: 1074526 · 1074526
InChI: InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3
InChIKey: YVVBECLPRBAATK-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC(O)=C1C(OC)=O
CAS データベース: 883 · 883-99-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester (883-99-8)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 9-23
wgk: 2
tsca: TSCA listed
hs_code: 2918.29.7500
risk_code: 36/37/38
化審法: (4)-400
hazard_code: Xi
safety_code: 26-36
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 Information2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester: INACTIVE

応用分野

用途有機合成原料。

一般的な説明Methyl 3-hydroxy-2-naphthoate undergoes asymmetric oxidative coupling using mono-N-alkylated octahydrobinaphthyl-2,2′-diamine chiral ligands.