6-히드록시-3,4-디히드로-1(2H)나프탈논

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

HCID 4679494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3470-50-6
표준 SMILES: O=C1CCCc2cc(O)ccc21
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone
IUPAC: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
현지명: 6-히드록시-3,4-디히드로-1(2H)나프탈논
영어명: 6-Hydroxy-1-tetralone
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenoneRefChem:543381623-619-36-Hydroxy-1-tetralone3470-50-66-Hydroxy-3,4-dihydronaphthalen-1(2H)-one6-hydroxy-3,4-dihydro-2H-naphthalen-1-one6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-oneMFCD001566706-hydroxytetralone6-hydroxy tetraloneCHEMBL3288306

이름 더 보기

6-히드록시-3,4-디히드로-1(2H)나프탈논6-히드록시-1-테트라론enone4-dihydro-6-hydroxy-1-Tetralon-6-ol6-hydroxy-1-naphthone6-hydroxyl-1-tetralone6-Hydroxy-1-tetralone>6-HYDROXY-1-TETRALONE 98.5%6-Hydroxy-3,4-dihydro-1(2H)-naphthaL

DTXSID30405488BDBM50017515AKOS005258189AC-1123MB007846-hydroxy-2,3,4-trihydronaphthalen-1-one6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, 98%Z877546758

데이터베이스 식별자

CAS: 3470-50-6
PubChem CID: 4679494
DTXSID: DTXSID30405488
ChEMBL: CHEMBL3288306
EC Number: 623-619-3
Nikkaji: J68.590I

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: 154 · 154-157 °C(lit.)
끓는 점: 358 · 358.0±31.0 °C(Predicted)
밀도: 1.236 · 1.236±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.22 · 8.22±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 황백색에서 갈색까지
InChI: InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CCC1

화학적 성질

gray 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 74 reports by companies from 6 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
HS 번호: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6-Hydroxy-1-tetralone is used as a starting material for a one-pot conversion of phenols to anilines.

일반 설명6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone (6-Hydroxy-1-tetralone) can be prepared by the demethylation of 6-methoxy-3,4-dihydro-1(2H)-naphthalenone. It participates in the synthesis of 2-alkylamino-6-hydroxy-5-hydroxymethyl-1,2,3,4-tetrahydro-1-naphthalenols. Its pKa value has been reported to be 7.74.