1'-히드록시-2'-아세토나프톤

1'-Hydroxy-2'-acetonaphthone

HCID 69733CAS 711-79-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc2ccccc2c1O
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
분자식: C12H10O2
평균 분자량: 186.21 g/mol
단동위원소 질량: 186.06807956

개요

a fluorescent proton transfer probe; structure in first source

이름 및 식별자

우선 이름: 1'-Hydroxy-2'-acetonaphthone
IUPAC: 1-(1-hydroxynaphthalen-2-yl)ethanone
현지명: 1'-히드록시-2'-아세토나프톤
영어명: 1'-Hydroxy-2'-acetonaphthone
분자식: C12H10O2
분자량: 186.21

이름 및 동의어

1'-Hydroxy-2'-acetonaphthoneRefChem:433111711-79-52-Acetyl-1-naphthol1-(1-hydroxynaphthalen-2-yl)ethanone1-Hydroxy-2-acetylnaphthalene1-(1-hydroxynaphthalen-2-yl)ethan-1-one1-Hydroxy-2-acetonaphthone2-Acetyl-1-hydroxynaphthaleneMFCD000039631-(1-Hydroxy-2-naphthyl)ethanone1-(1-Hydroxy-naphthalen-2-yl)-ethanone

이름 더 보기

1'-하이드록시-2'-아세토나프톤1'-히드록시-2'-아세토나프톤TIMTEC-BB SBB010063RARECHEM BW GA 0421LABOTEST-BB LT000685572-Acetyl-1-naphthol 99%2-Acetyl-1-naphthol,99%ASINEX-REAG BAS 07629298Ethanone, 1-(1-Hydroxy-2-

Ethanone, 1-(1-hydroxy-2-naphthalenyl)-2'-Acetonaphthone, 1'-hydroxy-1-Hydroxy-2-naphthyl methyl ketone2-Aceto-1-naphthol3',4'-Benzo-2'-hydroxyacetophenone1-(1-Hydroxy-2-naphthalenyl)ethanoneNSC 4973N3BKY69086

데이터베이스 식별자

CAS: 711-79-5
PubChem CID: 69733
DTXSID: DTXSID4061044
ChEMBL: CHEMBL569194
UNII: N3BKY69086
EC Number: 211-918-8
Nikkaji: J1.557.078D、J79.921A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 224

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 98 · 98-100 °C(lit.)
끓는 점: 280.69 °C · 280.69°C (rough estimate)
밀도: 1.1032 · 1.1032 (rough estimate)
굴절률: 1.6086 · 1.6086 (estimate)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 결정성 분말
산도 계수 (pKa): 1 · pK1: 13.40 (30°C)
색상: 노란색
수용성: 물에 불용성.
BRN: 1868084 · 1868084
InChI: InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1O)C=CC=C2)C
EPA: 1 · Ethanone, 1-(1-hydroxy-2-naphthalenyl)- (711-79-5)

화학적 성질

yellow crystalline powder

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(1-hydroxy-2-naphthalenyl)-: INACTIVE

응용 분야

용도2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.

일반 설명The modulation of different photophysical properties of 1′-hydroxy-2′-acetonaphthone (HAN), after encapsulating into the hydrophobic nanocavities of various bile salt aggregates, was studied.