4-((4-Nitrophenyl)azo)anilin

Disperse orange 3

HCID 12896CAS 730-40-5
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Grundinformationen

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
730-40-5
PubChem CID
12896
DTXSID
DTXSID7061061
ChEMBL
CHEMBL5287885
ChEBI
CHEBI:75648
UNII
B7J3O076OT
EC Number
211-984-8
Nikkaji
J2.364.317K、J2.364.318I、J6.955H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
96,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
18

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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 2 Einträge

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

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 · 2 Einträge

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

Nachgelagerte Produkte

Anbieter50 Anbieter

艾吉析科技（上海）有限公司17717235263 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Azobenzene substituted at the phenyl 4-positions by an amino and a nitro group.

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