Ethyl 2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
기본 정보
- CAS
297146-31-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)sc(C(=O)Nc2ccccc2)c1C- InChIKey
NCSBNXBVEDFAHP-UHFFFAOYSA-N- 분자식
- C23H24Cl2N2O4S
- 평균 분자량
- 495.4 g/mol
- 단동위원소 질량
- 494.0833838
이름 및 식별자
- 우선 이름
- Ethyl 2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
- 영어명
- ethyl 2-(3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
- 분자식
- C23H24Cl2N2O4S
- 분자량
- 495.42
이름 및 동의어
297146-31-7ethyl 2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylateETHYL 5-(ANILINOCARBONYL)-2-({[3-(2,2-DICHLOROVINYL)-2,2-DIMETHYLCYCLOPROPYL]CARBONYL}AMINO)-4-METHYL-3-THIOPHENECARBOXYLATESTK809708AKOS000532576AKOS016289466AG-690/11962596AH-034/11650259ethyl 2-(3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylateethyl 2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl]amino}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate3-Thiophenecarboxylic acid, 2-[[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl]amino]-4-methyl-5-[(phenylamino)carbonyl]-, ethyl ester
데이터베이스 식별자
- CAS
297146-31-7- PubChem CID
- 3118318
- EC Number
- 169-062-5
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 765
물리화학적 성질
- 끓는 점
- 600.2 · 600.2±55.0 °C(Predicted)
- 밀도
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.8 · 11.80±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
관련 반응
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