2-메틸-1-인다논

2-Methylindanone

HCID 249262CAS 17496-14-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1Cc2ccccc2C1=O
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
분자식: C10H10O
평균 분자량: 146.19 g/mol
단동위원소 질량: 146.07316494

이름 및 식별자

우선 이름: 2-Methylindanone
IUPAC: 2-methyl-2,3-dihydroinden-1-one
현지명: 2-메틸-1-인다논
영어명: 2-METHYL-1-INDANONE
분자식: C10H10O
분자량: 146.19

이름 및 동의어

2-Methyl-1-indanone2-Methyl-indan-1-one2-methylindanone1H-Inden-1-one, 2,3-dihydro-2-methyl-NSC-67345OS704F44DRDTXSID30290210RefChem:476092DTXCID602413562-METHYLINDANONE, (+-)-605-746-617496-14-9

이름 더 보기

2-메틸-1-인다논2-METHYL-INDANONE2-METHYL-1-INDANONE 97%(R,S)-2-Methyl-indan-1-one2,3-Dihydro-2-methyl-1H-inden-1-one, 1-Oxo-2-methylindane

2-Methyl-2,3-dihydro-1H-inden-1-one2-methylindan-1-one2-methyl-2,3-dihydroinden-1-oneMFCD001923032,3-Dihydro-2-methyl-1H-inden-1-one2-methyl-1-indanonNSC67345NCIOpen2_000118

데이터베이스 식별자

CAS: 17496-14-9
PubChem CID: 249262
DTXSID: DTXSID30290210
ChEMBL: CHEMBL155191
UNII: OS704F44DR
EC Number: 605-746-6
Nikkaji: J460.216A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 47 · 47-47.5 °C
끓는 점: 93 · 93-95 °C4 mm Hg(lit.)
밀도: 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.555(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 노란색
InChI: InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
InChIKey: BEKNOGMQVKBMQN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)CC1C

화학적 성질

Pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: 3
HS 번호: 2914390090
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 23-26-36/37/39-36
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates

일반 설명2-Methyl-1-indanone, a α-benzocycloalkenone, is a derivative of 1-indanone. Its synthesis has been reported. The enzymatic dynamic kinetic resolution (DKR) of racemic 2-methyl-1-indanone has been studied. The asymmetric α-arylation and hydroxymethylation of 2-methyl-1-indanone has been reported. It participated in the synthesis of 2-methyl-6-carboxyazulene.