2-메틸-1-인다논
2-메틸-1-인다논 · 2-Methyl-2,3-dihydro-1H-inden-1-one · 2-METHYL-INDANONE · 2-METHYL-1-INDANONE · 2-METHYLINDAN-1-ONE · 2-METHYL-1-INDANONE 97% · (R,S)-2-Methyl-indan-1-one · 2-methyl-2,3-dihydroinden-1-one
식별자 및 물리적 특성
| CAS No. | 17496-14-9 |
|---|---|
| 분자식 | C10H10O |
| 평균 분자량 | 146.19 g/mol |
| 단동위원소 질량 | 146.07316494 g/mol |
| SMILES | CC1Cc2ccccc2C1=O |
| InChIKey | BEKNOGMQVKBMQN-UHFFFAOYSA-N |
| PubChem CID | 249262 |
| ChEMBL | CHEMBL155191 |
| EC No. | 605-746-6 |
| DTXSID | DTXSID30290210 |
| 현지명 | 2-메틸-1-인다논 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 174 |
| 녹는점 | 47-47.5 °C |
| 끓는 점 | 93-95 °C4 mm Hg(lit.) |
| 밀도 | 1.064 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.555(lit.) |
| 인화점 | >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 | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2914390090 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 23-26-36/37/39-36 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-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 설명
2-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.