기본 정보
- CAS
54407-47-5- 표준 SMILES
C#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C(C)=CCC- InChIKey
XCUGQTFVQHTFPD-UHFFFAOYSA-N- 분자식
- C16H20Cl2O2
- 평균 분자량
- 315.2 g/mol
- 단동위원소 질량
- 314.0840353
이름 및 식별자
- 우선 이름
- 4-Methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- 4-methylhept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- 영어명
- chlorempenthrin
- 분자식
- C16H20Cl2O2
- 분자량
- 315.24
이름 및 동의어
데이터베이스 식별자
- CAS
54407-47-5- PubChem CID
- 54462838
- DTXSID
DTXSID7058123
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 490
물리화학적 성질
- 끓는 점
- 385.3 · 385.3±42.0 °C(Predicted)
- 밀도
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C16H20Cl2O2/c1-6-8-10(3)12(7-2)20-15(19)14-11(9-13(17)18)16(14,4)5/h2,8-9,11-12,14H,6H2,1,3-5H3
- InChIKey
- XCUGQTFVQHTFPD-UHFFFAOYSA-N
- SMILES
- C1(C(OC(C#C)C(C)=CCC)=O)C(/C=C(/Cl)\Cl)C1(C)C
화학 및 산업
응용 분야
용도Chlorempenthrin is used in the sanitary insecticidal compositions. It is also used in self heating Mosquito repellent.
일반 설명Chlorempenthrin, also known as 1-ethynyl-2-methylpent-2-enyl (RS)-2,2-dimethyl- 3-(2,2-dichlorovinyl) cyclopropanecarboxylate and 3-(2,2-dichlorovinyl)-2,2- dimethylcyclopropanecarboxylic acid-1-ethynyl-2-methylpenten-2-ol ester, is a derivative of 1-ethynyl-2-methyl penten-2-ol. Molecular formula: C17H22O2Cl2, molecular weight: 329.265.
제조 방법
2-Methyl-1-ethynyl-2-pentenol, pyridine and toluene were added to the reaction vessel, and 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride were added in a dropwise manner under agitation. The reaction was carried out at a suitable temperature for 6 h. After reaction, the reaction solution was washed with water until neutral, dried and then subjected to distillation under reduced pressure. Chlorempenthrin was collected from a fraction of 130–132°C (1mmHg). The yield of chlorempenthrin was 86%.
상·하류 제품 정보
상류 원료
공급사100 곳
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