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4-(Phenylazo)-1,3-benzoldiamin
azodianiline · SOLVENT ORANGE 3 · Azohel · azoaniline · C.I.11270:1 · Oil Orange Y · Chrysoidin A · Fat Brown GG
Identifikatoren & physikalische Daten
| CAS No. | 495-54-5 |
|---|---|
| Summenformel | C12H12N4 |
| Durchschnittliche Molmasse | 212,25 g/mol |
| Monoisotopische Masse | 212,10619638 g/mol |
| SMILES | Nc1ccc(N=Nc2ccccc2)c(N)c1 |
| InChIKey | IWRVPXDHSLTIOC-UHFFFAOYSA-N |
| PubChem CID | 10317 |
| ChEMBL | CHEMBL1623562 |
| ChEBI | CHEBI:34640 |
| EC No. | 207-803-7 |
| DTXSID | DTXSID4043856 |
| Lokaler Name | 4-(Phenylazo)-1,3-benzoldiamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 235 |
| Stoffklassen | Dyes -> Azo Dyes |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Dampfdruck | 0.00000152 [mmHg]0Pa at 25℃ |
| Physical Description | Wet Solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 149.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0024559] |
| Schmelzpunkt | 117~123℃ |
| Siedepunkt | 342.09°C (rough estimate) |
| Dichte | 1.1390 |
| Brechungsindex | 1.5000 (estimate) |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)348.393mg/L at 30℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.11±0.10(Predicted) |
| Farbe | Red to Very Dark Brown |
| LogP (Verteilungskoeffizient) | 2.715 at 25℃ |
| CAS Datenbank | 495-54-5 |
| EPA chemische Informationen | C.I. Solvent Orange 3 (495-54-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.3% (1 of 374) of reports.H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzenediamine, 4-(phenylazo)-1,3-Benzenediamine, 4-(2-phenyldiazenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediamine, 4-(2-phenyldiazenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 4-(phenylazo)benzene-1,3-diamine (EC: 207-803-7)1,3-Benzenediamine, 4-(phenylazo)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Chrysoidine base and its salts: Human health tier II assessment |
| Gefahrenübersicht | A moderate eye irritant[RTECS] An irritantHarmful by ingestion[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%)Acute toxicity - category 4Muta. 2 |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Dyeing silk and cotton. Biological stain.
Herstellung & Synthese
synthetische
aniline diazotization, and Benzene-1,3-diamine coupling.