5-히드록시-1-인다논

5-Hydroxy-1-indanone

HCID 233147CAS 3470-49-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCc2cc(O)ccc21
InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
분자식: C9H8O2
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.0524295

이름 및 식별자

우선 이름: 5-Hydroxy-1-indanone
IUPAC: 5-hydroxy-2,3-dihydroinden-1-one
현지명: 5-히드록시-1-인다논
영어명: 5-Hydroxy-1-indanone
분자식: C9H8O2
분자량: 148.16

이름 및 동의어

5-Hydroxy-1-indanoneDTXSID70283404RefChem:536149DTXCID50234555627-457-43470-49-35-hydroxy-2,3-dihydro-1H-inden-1-one5-hydroxyindan-1-one5-Hydroxyindanone5-hydroxy-2,3-dihydroinden-1-oneMFCD008575271H-Inden-1-one, 2,3-dihydro-5-hydroxy-

이름 더 보기

5-히드록시-1-인다논5-하이드록시-1-인다논5-hydry-1-indanoneIFLAB-BB F2108-01445-Hydroxyl-1-indanone5-Hydroxy-1-indanone>5-Hydroxy-1-indanone 95%5-Hydroxyindan-1-one 97%2,3-Dihydro-5-hydroxy-1H-inden-1-one

1-oxo-5-indanol5-hydroxy-indan-1-one5-hydroxy-2,3-dihydro-1H-indene-1-one5-Hydroxy-1-indanone, 95%AKOS005207246Z1255457932NSC312495-Hydroxy-1-i

데이터베이스 식별자

CAS: 3470-49-3
PubChem CID: 233147
DTXSID: DTXSID70283404
EC Number: 627-457-4
Nikkaji: J20.945G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 176

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 175 °C · 175 °C (dec.) (lit.)
끓는 점: 251 °C · 251 °C
밀도: 1.305 · 1.305±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.15 · 8.15±0.20(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
InChIKey: ZRKQOVXGDIZYDS-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CC1

화학적 성질

white to light yellow crystal 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 42 reports by companies from 5 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: 26-36-36/37/39-27
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.

일반 설명5-Hydroxy-1-indanone is a 1-indanone derivative.