N-[4-[[2,5-다이클로로-4-(플루오로설폰일)페닐]아조]-3-메틸 페닐]-N-에틸-β-알라닌, 2-[(클로로아세틸)옥시]에틸 에스터
beta-Alanine, N-(4-(2-(2,5-dichloro-4-(fluorosulfonyl)phenyl)diazenyl)-3-methylphenyl)-N-ethyl-, 2-((2-chloroacetyl)oxy)ethyl ester
기본 정보
- CAS
193486-83-8- 표준 SMILES
CCN(CCC(=O)OCCOC(=O)CCl)c1ccc(N=Nc2cc(Cl)c(S(=O)(=O)F)cc2Cl)c(C)c1- InChIKey
SRZBKCJVHZJEQN-UHFFFAOYSA-N- 분자식
- C22H23Cl3FN3O6S
- 평균 분자량
- 582.9 g/mol
- 단동위원소 질량
- 581.035718
개요
See other relationships...
이름 및 식별자
- 우선 이름
- beta-Alanine, N-(4-(2-(2,5-dichloro-4-(fluorosulfonyl)phenyl)diazenyl)-3-methylphenyl)-N-ethyl-, 2-((2-chloroacetyl)oxy)ethyl ester
- IUPAC
- 2-(2-chloroacetyl)oxyethyl 3-[4-[(2,5-dichloro-4-fluorosulfonylphenyl)diazenyl]-N-ethyl-3-methylanilino]propanoate
- 현지명
- N-[4-[[2,5-다이클로로-4-(플루오로설폰일)페닐]아조]-3-메틸 페닐]-N-에틸-β-알라닌, 2-[(클로로아세틸)옥시]에틸 에스터
- 영어명
- .beta.-Alanine, N-4-2,5-dichloro-4-(fluorosulfonyl)phenylazo-3-methylphenyl-N-ethyl-, 2-(chloroacetyl)oxyethyl ester
- 분자식
- C22H23Cl3FN3O6S
- 분자량
- 582.86
이름 및 동의어
EC 427-570-72-(2-chloroacetoxy)ethyl 3-((4-(2,5-dichloro-4-fluorosulfonylphenylazo)-3-methylphenyl)ethylamino)propionateDTXSID70889102beta-Alanine, N-(4-(2-(2,5-dichloro-4-(fluorosulfonyl)phenyl)diazenyl)-3-methylphenyl)-N-ethyl-, 2-((2-chloroacetyl)oxy)ethyl ester.beta.-Alanine, N-[4-[2-[2,5-dichloro-4-(fluorosulfonyl)phenyl]diazenyl]-3-methylphenyl]-N-ethyl-, 2-[(2-chloroacetyl)oxy]ethyl esterbeta-Alanine, N-[4-[2-[2,5-dichloro-4-(fluorosulfonyl)phenyl]diazenyl]-3-methylphenyl]-N-ethyl-, 2-[(2-chloroacetyl)oxy]ethyl esterRefChem:567186DTXCID301028371427-570-7606-294-2193486-83-8beta-Alanine, N-(4-((2,5-dichloro-4-(fluorosulfonyl)phenyl)azo)-3-methylphenyl)-N-ethyl-, 2-((chloroacetyl)oxy)ethyl ester
이름 더 보기
N-[4-[[2,5-다이클로로-4-(플루오로설폰일)페닐]아조]-3-메틸 페닐]-N-에틸-β-알라닌, 2-[(클로로아세틸)옥시]에틸 에스터.베타.-알라닌,N-4-2,5-디클로로-4-(플루오로술포닐)페닐아조-3-메틸페닐-N-에틸-,2-(클로로아세틸)옥시에틸에스테르
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 862
물리화학적 성질
- 끓는 점
- 671.432 · 671.432±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.434 · 1.434±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.68 · 2.680±0.50(predicted)
- EPA
- 4 · .beta.-Alanine, N-[4-[[2,5-dichloro-4-(fluorosulfonyl)phenyl]azo]-3-methylphenyl]-N-ethyl-, 2-[(chloroacetyl)oxy]ethyl ester (193486-83-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-(2-chloroacetoxy)ethyl 3-((4-(2,5-dichloro-4-fluorosulfonylphenylazo)-3-methylphenyl)ethylamino)propionate (EC: 427-570-7)
Hazard Classes and Categories
Aquatic Chronic 2 (50%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 98-3-1135
화학 및 산업
용도 및 제조
General Manufacturing Information.beta.-Alanine, N-[4-[2-[2,5-dichloro-4-(fluorosulfonyl)phenyl]diazenyl]-3-methylphenyl]-N-ethyl-, 2-[(2-chloroacetyl)oxy]ethyl ester: ACTIVE
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