1-Butyl-5-[(4-chlorphenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitril
C.I. Disperse Yellow 218
Grundinformationen
- CAS
69808-32-8- Standard-SMILES
CCCCn1c(O)c(C#N)c(C)c(N=Nc2ccc(Cl)cc2)c1=O- InChIKey
DLTLEIUQPDJNQM-UHFFFAOYSA-N- Summenformel
- C17H17ClN4O2
- Durchschnittliche Molmasse
- 344,8 g/mol
- Monoisotopische Masse
- 344,1040035
Namen und Bezeichner
- Bevorzugter Name
- C.I. Disperse Yellow 218
- IUPAC
- 1-butyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
- Lokaler Name
- 1-Butyl-5-[(4-chlorphenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitril
- Englischer Name
- 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- Summenformel
- C17H17ClN4O2
- Molmasse
- 344.8
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 89,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 636
Physikochemische Eigenschaften
- Siedepunkt
- 421.9 · 421.9±45.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- pka
- 1.76 · 1.76±0.58(Predicted)
- LogP
- 5.2 at · 5.2 at 25℃
- EPA chemische Informationen
- 3 · 3-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- (69808-32-8)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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
Gefahrenhinweise
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
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
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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