기본 정보
- CAS
69808-32-8- 표준 SMILES
CCCCn1c(O)c(C#N)c(C)c(N=Nc2ccc(Cl)cc2)c1=O- InChIKey
DLTLEIUQPDJNQM-UHFFFAOYSA-N- 분자식
- C17H17ClN4O2
- 평균 분자량
- 344.8 g/mol
- 단동위원소 질량
- 344.1040035
이름 및 식별자
- 우선 이름
- C.I. Disperse Yellow 218
- IUPAC
- 1-butyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
- 영어명
- 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- 분자식
- C17H17ClN4O2
- 분자량
- 344.8
이름 및 동의어
C.I. Disperse Yellow 218DTXSID9041493DTXSID7010240523-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-Pyridinecarbonitrile, 1-butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-83929-90-2RefChem:572409DTXCID7021493DTXCID901052900617-509-469808-32-8JHE4FQ68MN
이름 더 보기
DLTLEIUQPDJNQM-QZQOTICOSA-N1-Butyl-5-(4-chlorophenylazo)-3-cyano-6-hydroxy-4-methyl-2(1H)-pyridone1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile1-Butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile1-butyl-5-[(4-chlorophenyl) azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 1-butyl-5-[2-(4-chlorophenyl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
1-Butyl-5-((4-chlorophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile3-Pyridinecarbonitrile, 1-butyl-5-(2-(4-chlorophenyl)diazenyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-Butyl-5-(4-chlorophenyl)azo-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrileEINECS 274-126-1UNII-JHE4FQ68MNJ38.123CSCHEMBL8643038SCHEMBL9490131
데이터베이스 식별자
- CAS
69808-32-8、83929-90-2- PubChem CID
- 112297
- DTXSID
DTXSID701024052- UNII
- JHE4FQ68MN
- EC Number
- 274-126-1、617-509-4
- Nikkaji
- J38.123C
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 89.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 끓는 점
- 421.9 · 421.9±45.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 산도 계수 (pKa)
- 1.76 · 1.76±0.58(Predicted)
- LogP
- 5.2 at · 5.2 at 25℃
- EPA
- 3 · 3-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- (69808-32-8)
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 10.6% (5 of 47) of reports.
Warning
H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 3-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
Chemical: C.I. Disperse Yellow 218
REACH registered substance: 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (EC: 274-126-1)
C.I. Disperse Yellow 218: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - Further azo dyes that may release carcinogenic amines: Human health tier II assessment
IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (87.2%)
Carcinogenicity - category 2
Carcinogenicity - category 2
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-04240
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 1-butyl-5-[2-(4-chlorophenyl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-: ACTIVE
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