5,6-다이메톡시-1-인단온

5,6-Dimethoxy-1-indanone

HCID 75018CAS 2107-69-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc2c(cc1OC)C(=O)CC2
InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N
분자식: C11H12O3
평균 분자량: 192.21 g/mol
단동위원소 질량: 192.07864424

개요

structure in first source

이름 및 식별자

우선 이름: 5,6-Dimethoxy-1-indanone
IUPAC: 5,6-dimethoxy-2,3-dihydroinden-1-one
현지명: 5,6-다이메톡시-1-인단온
영어명: 5,6-Dimethoxy-1-indanone
분자식: C11H12O3
분자량: 192.21

이름 및 동의어

5,6-Dimethoxy-1-indanone2107-69-95,6-Dimethoxyindan-1-one1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-DTXSID9057680F805RZI8GONSC-401450DTXCID6031469RefChem:101193218-287-85,6-dimethoxy-2,3-dihydro-1H-inden-1-one5,6-Dimethoxy-indan-1-one

이름 더 보기

5,6-다이메톡시-1-인단온2,3-Dihydro-5,6-dimethoxy-1H-inden-1-oneAB1007066AKOS 908055,6-Dimethoxy-1DiMethoxy-1-indan5,6-Dimethoxy-1-indaDonepezil Impurity 255, 6-dimethoxy-indenone

5,6-dimethoxy-2,3-dihydroinden-1-oneMFCD00003790Donepezil EP impurity BNSC401450CHEMBL6113565,6-Dimethoxy-1-Indanone (Donepezil Impurity)5,6-bis(methyloxy)-2,3-dihydro-1H-inden-1-one5,6-dimethoxyindanone

데이터베이스 식별자

CAS: 2107-69-9
PubChem CID: 75018
DTXSID: DTXSID9057680
ChEMBL: CHEMBL611356
UNII: F805RZI8GO
EC Number: 218-287-8
Nikkaji: J265.472E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 227

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 118120 °C · 118120°C
끓는 점: 139 °C · 139 °C / 2mmHg
밀도: 1.1503 · 1.1503 (rough estimate)
굴절률: 1.46 · 1.4600 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 고체
색상: 황백색에서 연한 노란색
BRN: 1241095 · 1241095
InChI: InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3
InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(OC)C(OC)=C2)CC1
NIST: 1 · 1-Indanone, 5,6-dimethoxy-,(2107-69-9)
EPA: 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy- (2107-69-9)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.