2-메틸-1-인다논
2-Methylindanone
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기본 정보
- CAS
17496-14-9- 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 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 17.1 Ų
- 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
- 250 °C · 250 °C
- 밀도
- 1.07 · 1.07
- 굴절률
- 20 · n 20/D 1.555 (lit.)
- 인화점
- Not applicable
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- clear liquid
- 색상
- Colorless to Light yellow
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
- 2914399090
- 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
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.
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