Grundinformationen
- Standard-SMILES
CN(C)c1ccc(N=C2C=CC(=O)C=C2)cc1- InChIKey
LHGMHYDJNXEEFG-UHFFFAOYSA-N- Summenformel
- C14H14N2O
- Durchschnittliche Molmasse
- 226,27 g/mol
- Monoisotopische Masse
- 226,11061307
Überblick
a dye; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 4-((4-(Dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-one
- IUPAC
- 4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
- Lokaler Name
- 4-[[4-(Dimethylamino)phenyl]imino]cyclohexa-2,5-dien-1-on
- Englischer Name
- PHENOL BLUE
- Summenformel
- C14H14N2O
- Molmasse
- 226.27
Namen und Synonyme
Phenol Blue2150-58-5Indoaniline, N,N-dimethyl-4-[[4-(dimethylamino)phenyl]imino]-2,5-cyclohexadien-1-oneDTXSID00622102,5-Cyclohexadien-1-one, 4-((4-(dimethylamino)phenyl)imino)-2,5-Cyclohexadien-1-one, 4-[[4-(dimethylamino)phenyl]imino]-4-((4-(Dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-oneRefChem:860612DTXCID4036489N,N-Dimethylindoaniline4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
Weitere Namen anzeigen
Phenolblaun,n-dimethyl-indoanilinN,N-DimethylindoanilinePhenol blueN,N-Dimethylindoaniline,78%,pract.N,N-Dimethylindoaniline, pract., 78%N,N-Dimethylindoaniline Dye content 97 %N,N-Dimethylindoaniline, ca. 92% dye content
4-(p-Dimethylaminophenyl)imino-2,5-cyclohexadiene-1-one4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dienone4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-oneMFCD00001620NSC-400538NSC-4024432,5-Cyclohexadien-1-one, 4-(p-dimethylaminophenyl)imino-4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-one
Datenbank-Bezeichner
- CAS
2150-58-5- PubChem CID
- 75078
- DTXSID
DTXSID0062210- ChEMBL
CHEMBL3276918- UNII
- P75HHB6E4Y
- EC Number
- 218-434-6
- Nikkaji
- J1.046.182K、J7.336I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 32,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 354
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Other Dyes
LogP2.02
Physical DescriptionDark brown powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-134 °C
- Siedepunkt
- 367.89 °C · 367.89°C (rough estimate)
- Dichte
- 1.0852 · 1.0852 (rough estimate)
- Brechungsindex
- 1.6419 · 1.6419 (estimate)
- storage temp.
- room temp
- Aggregatzustand
- powder
- pka
- 6.12 · 6.12±0.24(Predicted)
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C14H14N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10H,1-2H3
- InChIKey
- LHGMHYDJNXEEFG-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccc(cc1)N=C2C=CC(=O)C=C2
- EPA chemische Informationen
- 2 · 2,5-Cyclohexadien-1-one, 4-[[4-(dimethylamino)phenyl]imino]- (2150-58-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA poison by the intraperitoneal route; [Sax] May cause skin irritation or allergic dermatitis; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- RTECS-Nr.
- GU5530000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intraperitoneal,80mg/kg (80mg/kg),Journal of Medicinal Chemistry. Vol. 21, Pg. 11, 1978.
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesClassification code: drug/therapeutic agent; [ChemIDplus]
General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[[4-(dimethylamino)phenyl]imino]-: ACTIVE
Anwendungen
VerwendenN,N-Dimethylindoaniline is an organic dye compound. Dyes and metabolites.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter18 Anbieter
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海佰安麦材料科技有限公司13656718387 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海赫寰化工有限公司021-60345187 13917602471 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海锐恩生物科技有限公司21-64985567 13524767716 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
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