7-히드록시-1-테트라론

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

HCID 571818CAS 22009-38-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCCc2ccc(O)cc21
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
현지명: 7-히드록시-1-테트라론
영어명: 7-Hydroxy-1-tetralone
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one3,4-dihydro-7-hydroxy-1(2H)-naphthalenoneRefChem:546545696-527-47-Hydroxy-1-tetralone22009-38-77-Hydroxy-3,4-dihydronaphthalen-1(2H)-oneMFCD013122257-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONESCHEMBL3855547-Hydroxy-1-tetralone (5)7-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

이름 더 보기

7-히드록시-1-테트라론4-dihydro-7-hydroxy-7-hydroxyl-1-tetraloneAgomelatine Impurity 487-Hydroxy-1-tetralone 99%Allisartan Isoproxil Impurity 247-hydroxy-1-tetrahydronaphthalone7- Hydroxyl -1-tetrahydronaphthalene7-Hydroxy-3,4-dihydro-2H-1-naphthone

MB01768AC-27437H16507-Hydroxytetralin-1-oneZ11981565797-hydroxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-AMY14181

데이터베이스 식별자

CAS: 22009-38-7
PubChem CID: 571818
DTXSID: DTXSID00341263
EC Number: 696-527-4
Nikkaji: J1.854.436I

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 164 to · 164.0 to 168.0 °C
끓는 점: 215 °C/12mmHg · 215°C/12mmHg(lit.)
밀도: 1.236 · 1.236±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.44 · 9.44±0.20(Predicted)
색상: 흰색에서 회색, 갈색까지
InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(O)=C2)CCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19228

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2914500075
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

용도7-Hydroxy-1-tetralone, its derivatives and related fluorescent chalcones have been used as pharmacological tools to study the human histamine H3 receptor. Also C7-Substituted α-Tetralone derivatives have been study as Inhibitors of Monoamine Oxidase.