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

이름 및 식별자

우선 이름: Methyl 3-hydroxy-2-naphthoate
IUPAC: methyl 3-hydroxynaphthalene-2-carboxylate
영어명: Methyl 3-hydroxy-2-naphthoate
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 73 · 73-75 °C (lit.)
끓는 점: 205 · 205-207 °C (lit.)
밀도: 1.1868 · 1.1868 (rough estimate)
굴절률: 1.544 · 1.5440 (estimate)
인화점: 205 · 205-207°C/160mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.36 · 9.36±0.40(Predicted)
색상: 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
EPA: 2 · 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester (883-99-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

안전 데이터

wgk: 2
tsca: TSCA listed
HS 번호: 2918.29.7500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 9-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester: INACTIVE

응용 분야

일반 설명Methyl 3-hydroxy-2-naphthoate undergoes asymmetric oxidative coupling using mono-N-alkylated octahydrobinaphthyl-2,2′-diamine chiral ligands.