카토닉다크옐로우2RL
3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride
기본 정보
- CAS
12217-50-4- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cccc([N+](C)(C)C)c1.[Cl-]- InChIKey
NWKBFCIAPOSTKG-UHFFFAOYSA-M- 분자식
- C19H22N5O.Cl
- 평균 분자량
- 371.9 g/mol
- 단동위원소 질량
- 371.151288
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride
- IUPAC
- trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium chloride
- 현지명
- 카토닉다크옐로우2RL
- 영어명
- Catonic Dark Yellow 2RL
- 분자식
- C16H16N5O3S.ZnCl3
- 분자량
- 0
이름 및 동의어
Basic Yellow 133-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,N-trimethylanilinium chloride3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-n,n,n-trimethylanilinium chlorideRefChem:488488Basic yellow 5768391-31-1Basic Yellow 19trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium;chlorideBenzenaminium, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-, chlorideBenzenaminium, 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,N-trimethyl-, chlorideN,N,N-Trimethyl-3-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzenaminium chlorideBenzenaminium, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethyl-, chloride
이름 더 보기
카토닉다크옐로우2RLYellow X-2RLAnilan Yellow 2RLMaxilon Yellow 2RLTriacryl Yellow 2RL.C.I. BASIC YELLOW 19Cationic Yellow X-2RLCatonic Dark Yellow 2RCatonic Dark Yellow 2RL
물성
구조 계산 물성
- 극성 표면적
- 57.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 545
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Basic Yellow 57) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 72.9% (43 of 59) of all reports.
Warning
H361d (22%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenaminium, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-, chloride (1:1)
REACH registered substance: 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (EC: 269-943-5)
Other Safety InformationIMAP assessments - Benzenaminium, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethyl-, chloride: Human health tier I assessment
Hazard Classes and CategoriesRepr. 2 (22%)
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
화학 및 산업
용도 및 제조
UsesCIR ingredient: Basic Yellow 57
Household ProductsInformation on 5 consumer products that contain Basic yellow 57 in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationBenzenaminium, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-, chloride (1:1): ACTIVE
제조 방법
4-Nitrobenzenamine diazo, and 6-Methoxybenzo[d]thiazol-2-aminecoupling, and then the quaternary ammonium salt.
상·하류 제품 정보
상류 원료
관련 반응
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