4-((4-Nitrophenyl)azo)anilin
Disperse orange 3
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Grundinformationen
- CAS
730-40-5- Standard-SMILES
Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
UNBOSJFEZZJZLR-UHFFFAOYSA-N- Summenformel
- C12H10N4O2
- Durchschnittliche Molmasse
- 242,23 g/mol
- Monoisotopische Masse
- 242,08037556
Überblick
4-(4-nitrophenylazo)aniline is azobenzene substituted at the phenyl 4-positions by an amino and a nitro group. It has a role as a dye and an allergen. It is a member of azobenzenes and a primary arylamine. It is functionally related to an azobenzene.
Namen und Bezeichner
- Bevorzugter Name
- Disperse orange 3
- IUPAC
- 4-[(4-nitrophenyl)diazenyl]aniline
- Lokaler Name
- 4-((4-Nitrophenyl)azo)anilin
- Englischer Name
- DISPERSE ORANGE 3
- Summenformel
- C12H10N4O2
- Molmasse
- 242.23
Namen und Synonyme
Disperse orange 3730-40-54-(4-Nitrophenylazo)anilineC.I. Disperse Orange 34-[(4-nitrophenyl)diazenyl]aniline4-Amino-4'-nitroazobenzeneBenzenamine, 4-[(4-nitrophenyl)azo]-4-((4-nitrophenyl)diazenyl)aniline1-(4'-aminophenylazo)-4-nitrobenzene4-[(4-nitrophenyl)azo]benzenamineMFCD00007856Benzeneamine, 4-((nitrophenyl)azo)-
Weitere Namen anzeigen
CI 11005CellitonOrangeGRSolvent Orange 9abcolorange2rnex.DISPERSEORANGENO3Disperse Orange GRDisperse Orange Zh
Benzenamine, 4-((4-nitrophenyl)azo)-B7J3O076OTCHEBI:75648Benzenamine, 4-(2-(4-nitrophenyl)diazenyl)-T4874-((4-NITROPHENYL)AZO)BENZENAMINEDO3Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]-
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 96,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 300
Experimentelle und physikochemische Eigenschaften
CosmeticsHair dyeing
LogP2.37
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 °C · ~200 °C (dec.)(lit.)
- Siedepunkt
- 385.06 °C · 385.06°C (rough estimate)
- Dichte
- 1.2532 · 1.2532 (rough estimate)
- Brechungsindex
- 1.6081 · 1.6081 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Very Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
- pka
- 2.78 · 2.78±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Red to dark brown
- Wasserlöslichkeit
- 290.7 ug/L · 290.7ug/L(25 ºC)
- BRN
- 1842907 · 1842907
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 3.6% (2 of 56) of reports.
Warning
H315 (76.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 4-[(4-nitrophenyl)azo]-
Benzenamine, 4-(4-nitrophenyl)azo-: 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 InformationIMAP assessments - Azo Dyes that Cleave to Aromatic Amines of Potential Toxicological Concern: Human health tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (76.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32041100
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
PharmacodynamicsT487 is a small molecule chemokine receptor antagonist to correct or modify immune system responses. It binds selectively and potently to CXCR3.
Mechanism of ActionT487 binds selectively and potently to CXCR3.
Verwendung und Herstellung
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationBenzenamine, 4-[2-(4-nitrophenyl)diazenyl]-: ACTIVE
Anwendungen
BeschreibungDisperse orange 3 is an azo dye which can induce contact dermatitis in workers in the textile industry. Patch tests are frequently positive (about 30%) in hairdressers with a hand dermatitis. It is probably an indicator of contact sensitization to PPD, but disperse orange 3 can also be found in so me semipermanent hair dyes.
VerwendenDisperse orange 3 is used as a dye in acetate, nylon, silk, wool, and cotton; stocking dye.
Darstellung
synthetische4-Nitrobenzenamine diazo, with aniline base armour sulfonic acid coupling, and sodium hydroxide solution to boil, then a sulfonic acid hydrolysis off base.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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