6-히드록시-1-인다논

6-Hydroxy-1-indanone

HCID 7020659

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 62803-47-8
표준 SMILES: O=C1CCc2ccc(O)cc21
InChIKey: MOANRQDXNNXOLW-UHFFFAOYSA-N
분자식: C9H8O2
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.0524295

이름 및 식별자

우선 이름: 6-Hydroxy-1-indanone
IUPAC: 6-hydroxy-2,3-dihydroinden-1-one
현지명: 6-히드록시-1-인다논
영어명: 6-Hydroxy-1-indanone
분자식: C9H8O2
분자량: 148.16

이름 및 동의어

6-Hydroxy-1-indanone62803-47-86-hydroxyindan-1-oneDTXSID80427271RefChem:543339DTXCID50378105613-084-46-Hydroxy-2,3-dihydro-1H-inden-1-one6-hydroxy-2,3-dihydroinden-1-oneMFCD005135306-hydroxyindanone1H-Inden-1-one, 2,3-dihydro-6-hydroxy-

이름 더 보기

6-히드록시-1-인다논6-하이드록시-1-인다논6-Hydroxy-1-Indenone6-Hydroxy-1-indanone>6-Hydroxyindan-1-one 98%6-HYDROXY-1-INDANONE 99%2,3-Dihydro-6-hydroxy-1H-inden-1-one6-Hydrocy-2,3-Dihydro-1H-Inden-1-One

CHEMBL5178477SCHEMBL288806-Hydroxy-1-indanone, 97%SCHEMBL5546838SCHEMBL6198766SCHEMBL30137886MOANRQDXNNXOLW-UHFFFAOYSA-NBDBM50591349

데이터베이스 식별자

CAS: 62803-47-8
PubChem CID: 7020659
DTXSID: DTXSID80427271
ChEMBL: CHEMBL5178477
EC Number: 613-084-4
Nikkaji: J741.162F

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: 154 · 154-158 °C (lit.)
끓는 점: 329 · 329.0±31.0 °C(Predicted)
밀도: 1.305 · 1.305±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 9.45 · 9.45±0.20(Predicted)
색상: Light yellow to Amber to Dark green
InChI: 1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2
InChIKey: MOANRQDXNNXOLW-UHFFFAOYSA-N
SMILES: Oc1ccc2CCC(=O)c2c1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 2
HS 번호: 29145090
risk_code: 22-36/38-43
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도6-Hydroxy-1-indanone can be used in the synthesis of tetracyclic ketones intermediates during the total syntheses of (±)-frondosin C and (±)-8-epi-frondosin C. It can also be used in the synthesis of 1,4-dihydroindeno[1,2-c]pyrazoles, which can act like potent CHK-1 inhibitors, thereby inhibiting the growth of cancer cells.