1-(6-하이드록시-2-나프틸)에탄-1-온

1-(6-Hydroxy-2-naphthyl)ethan-1-one

HCID 82631CAS 10441-41-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc2cc(O)ccc2c1
InChIKey: IWRHUCBSLVVLJD-UHFFFAOYSA-N
분자식: C12H10O2
평균 분자량: 186.21 g/mol
단동위원소 질량: 186.06807956

이름 및 식별자

우선 이름: 1-(6-Hydroxy-2-naphthyl)ethan-1-one
IUPAC: 1-(6-hydroxynaphthalen-2-yl)ethanone
현지명: 1-(6-하이드록시-2-나프틸)에탄-1-온
영어명: 1-(6-hydroxy-2-naphthyl)ethan-1-one
분자식: C12H10O2
분자량: 186.21

이름 및 동의어

1-(6-Hydroxy-2-naphthyl)ethan-1-oneEINECS 233-923-4DTXSID50146467NSC 139891RefChem:426779DTXCID9068958233-923-410441-41-51-(6-hydroxynaphthalen-2-yl)ethanone1-(6-hydroxynaphthalen-2-yl)ethan-1-one6-ACETYL-2-NAPHTHOL1-(6-hydroxy-2-naphthyl)ethanone

이름 더 보기

1-(6-하이드록시-2-나프틸)에탄-1-온135354Naproxen Impurity 176-Acetyl-2-naphthol，98%ｍｉｎMethyl(6-hydroxy-2-naphtyl) ketone

MFCD001277091-(6-Hydroxy-2-naphthalenyl)ethanoneEthanone, 1-(6-hydroxy-2-naphthalenyl)-NSC139891Naproxen Impurity 522-hydroxy-6-acetylnaphthalene6-hydroxy-2-acetylnaphthaleneSCHEMBL1177919

데이터베이스 식별자

CAS: 10441-41-5
PubChem CID: 82631
DTXSID: DTXSID50146467
EC Number: 233-923-4
Nikkaji: J81.507A

물성

구조 계산 물성

XLogP: 2.7
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

물리화학적 성질

녹는점: 171 °C · 171 °C(Solv: benzene (71-43-2))
끓는 점: 370.1 · 370.1±15.0 °C(Predicted)
밀도: 1.36 g/cm3 · 1.36 g/cm3
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨, 가열, 초음파 처리), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.75 · 8.75±0.40(Predicted)
색상: 황백색에서 연한 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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.