HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11834877Erstellt: 2. November 2026
4-Amino-2-bromonitrobenzene
3-Bromo-4-nitroaniline · 4-Nitro-3-bromoaniline · 3-Bromo-4-nitrobenzenamine · 2-Bromo-4-Aminonitrobenzene · 4-Amino-2-bromonitrobenzene · Benzenamine, 3-bromo-4-nitro-
https://huagongshe.com/de/chemical/11834877
Identifikatoren & physikalische Daten
| CAS No. | 40787-96-0 |
|---|
| Summenformel | C6H5BrN2O2 |
|---|
| Durchschnittliche Molmasse | 217,02 g/mol |
|---|
| Monoisotopische Masse | 215,95344 g/mol |
|---|
| SMILES | Nc1ccc([N+](=O)[O-])c(Br)c1 |
|---|
| InChIKey | RLAIFIDRVAAEBW-UHFFFAOYSA-N |
|---|
| PubChem CID | 11834877 |
|---|
| EC No. | 879-303-2 |
|---|
| DTXSID | DTXSID80474245 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|
| Polarare Oberfläche (TPSA) | 71,8 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 159 |
|---|
| Schmelzpunkt | 259 °C |
|---|
| Siedepunkt | 339.3±22.0 °C(Predicted) |
|---|
| Dichte | 1.812±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | 2-8°C(protect from light) |
|---|
| Aggregatzustand | Powder |
|---|
| pKa (Säurekonstante) | -0.07±0.10(Predicted) |
|---|
| InChI | InChI=1S/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2 |
|---|
| InChIKey | RLAIFIDRVAAEBW-UHFFFAOYSA-N |
|---|
| SMILES | C1(N)=CC=C([N+]([O-])=O)C(Br)=C1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Zollcode | 2921420090 |
|---|
| hazard_note | Toxic |
|---|
