4-히드록시-1-인다논

4-Hydroxy-1-indanone

HCID 590547CAS 40731-98-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCc2c(O)cccc21
InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N
분자식: C9H8O2
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.05242949

이름 및 식별자

우선 이름: 4-Hydroxy-1-indanone
IUPAC: 4-hydroxy-2,3-dihydroinden-1-one
현지명: 4-히드록시-1-인다논
영어명: 4-Hydroxyindan-1-one
분자식: C9H8O2
분자량: 148.16

이름 및 동의어

4-Hydroxy-1-indanone40731-98-4DTXSID60343561RefChem:523696DTXCID60294640624-176-94-Hydroxyindanone4-hydroxyindan-1-one4-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-ONE4-hydroxy-2,3-dihydroinden-1-one2,3-dihydro-4-hydroxyinden-1-one4-hydroxy-indan-1-one

이름 더 보기

4-히드록시-1-인다논Hydroxyindanone4-HYDROXYINDANONE 98+%4-Hydroxy-1-indanone>4-Hydroxy-1-indanone,97%

MFCD001433301H-Inden-1-one, 2,3-dihydro-4-hydroxy-4-Hydroxy-indanone2,3-Dihydro-4-hydroxy-1H-inden-1-oneSCHEMBL389461SCHEMBL5541367SCHEMBL6199163SCHEMBL29392687

데이터베이스 식별자

CAS: 40731-98-4
PubChem CID: 590547
DTXSID: DTXSID60343561
EC Number: 624-176-9
Nikkaji: J20.944I

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

물리화학적 성질

녹는점: 242 · 242-244 °C (lit.)
끓는 점: 307.6 · 307.6±31.0 °C(Predicted)
밀도: 1.305 · 1.305±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 에탄올에 용해됩니다. (25mg/ml)
물리적 상태: powder to crystal
산도 계수 (pKa): 9.22 · 9.22±0.20(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(O)=CC=C2)CC1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

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

용도4-Hydroxy-1-indanone is a hydroxylated indanone used for synthesis. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.