기본 정보
- CAS
58161-93-6- 표준 SMILES
CC(C)(C)C(=O)C(Oc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl- InChIKey
SJDRWLQBNZCZBG-UHFFFAOYSA-N- 분자식
- C20H19Cl2NO5
- 평균 분자량
- 424.3 g/mol
- 단동위원소 질량
- 423.0640281
이름 및 식별자
- 우선 이름
- 4-[1-[[(2,4-Dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
- IUPAC
- 4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
- 영어명
- 2-(4-CARBOXYPHENOXY)-2-PIVALOYL-2',4'-DICHLOROACETANILIDE
- 분자식
- C20H19Cl2NO5
- 분자량
- 424.27
이름 및 동의어
benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-EINECS 261-146-0DTXSID908666774-(1-(((2,4-Dichlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoic acidBenzoic acid, 4-(1-(((2,4-dichlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acidRefChem:286630DTXCID40814941261-146-058161-93-62-(4-CARBOXYPHENOXY)-2-PIVALOYL-2',4'-DICHLOROACETANILIDE4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
이름 더 보기
LABOTEST-BB LT00441243COLOR COUPLING AGENT, Y-552-(4-Carboxyphenoxy)-2-pivaloyl-2',4'-dichloroacetanilide,96%2-(4-CARBOXYPHENOXY)-2-PIVALOYL-2'',4''-DICHLOROACETANILIDE 96%benzoicacid,4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoBenzoic acid, 4-[1-[[(2,4-dichlorophenyl) amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-
4-((1-((2,4-Dichlorophenyl)amino)-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy)benzoic acid4-{1-[N-(2,4-dichlorophenyl)carbamoyl]-3,3-dimethyl-2-oxobutoxy}benzoic acidSCHEMBL8975059SBB057590AKOS024306938NS00052993ST50307388N-[2-[4-carboxyphenoxy]-4,4-dimethyl-3-oxopentanoyl]-2,4-dichloroaniline
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 92.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 584
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Fragrance
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 밀도
- 1.3819 · 1.3819 (rough estimate)
- 굴절률
- 1.735 · 1.7350 (estimate)
- EPA
- 4 · Benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]- (58161-93-6)
화학적 성질
WHITE FINE CRYSTALLINE POWDER
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Other Safety InformationIMAP assessments - Benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- risk_code
- 25
- hazard_code
- T
- safety_code
- 24/25-45
- 기존화학 물질
- KE-10183
화학 및 산업
용도 및 제조
Household ProductsCosmetics product ingredient: 4-[1-[[(2,4-dichlorophenyl) amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
General Manufacturing InformationBenzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-: INACTIVE
공급사2 곳
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
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