4-메톡시-1-인다논

4-methoxy-2,3-dihydro-1H-inden-1-one

HCID 4547491CAS 13336-31-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc2c1CCC2=O
InChIKey: BTYSYELHQDGJAB-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 4-methoxy-2,3-dihydro-1H-inden-1-one
IUPAC: 4-methoxy-2,3-dihydroinden-1-one
현지명: 4-메톡시-1-인다논
영어명: 4-Methoxy-1-indanone
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

4-Methoxy-2,3-dihydro-1H-inden-1-oneRefChem:524506853-691-34-Methoxy-1-indanone13336-31-74-Methoxyindan-1-one4-methoxy-2,3-dihydroinden-1-one1H-Inden-1-one, 2,3-dihydro-4-methoxy-4-Methoxy-indan-1-oneMFCD000778164-methyoxy-indanone4-METHOXY-INDANONE

이름 더 보기

4-메톡시-1-인다논4-Methoxyindanone4-Meoxy-1-indanone4-METHOXY-1-INDANONE 99%2,3-Dihydro-4-methoxy-1H-inden-1-one

SCHEMBL165220DTXSID00404125FS-3435Z3346863322,3-Dihydro-4-methoxyinden-1-one4-Methoxy-1-indanone, 99%CHEMBL4572298SCHEMBL29506042

데이터베이스 식별자

CAS: 13336-31-7
PubChem CID: 4547491
DTXSID: DTXSID00404125
ChEMBL: CHEMBL4572298
EC Number: 853-691-3
Nikkaji: J523.065I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 105 · 105-107 °C (dec.) (lit.)
끓는 점: 115 · 115-120 °C/0.5 mmHg (lit.)
밀도: 1.0281 · 1.0281 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3
InChIKey: BTYSYELHQDGJAB-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(OC)=CC=C2)CC1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2914500090

화학 및 산업

응용 분야 · 2건

용도4-Methoxy-1-indanone is suitable for use in the comparative study of the effect of different substituents on various benzo-fused ketones on the reaction kinetics by studying the biocatalysed oxidation reaction.It may be used in the following studies:Synthesis of isomeric mixture of oximes.As a starting material in the synthesis of benzo-fused indolizidine and 4-methoxy-1-indanyl compound.Synthesis of 4-methoxy-5-nitro-1-indanone by nitration reaction.As one of the reactant in the synthesis of E-2-chloro-8-methyl-3-[(4′-methoxy-1′-indanoyl)-2′-methyliden]-quinoline (IQ), a quinoline derivative.

일반 설명4-Methoxy-1-indanone, a benzo-fused ketone is a 1-indanone derivative. Its synthesis has been reported.