HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79531Erstellt: 26. Oktober 2026
2-Brom-2-nitropropan
2-Bromo-2-nitropropane · 2-Nitro-2-bromopropane · Propane, 2-bromo-2-nitro- · 2-Bromo-2-nitropropane,97% · 2-Bromo-2-nitropropane, 98+% · 2-Bromo-2-nitropropaneQ: What is 2-Bromo-2-nitropropane Q: What is the CAS Number of 2-Bromo-2-nitropropane
https://huagongshe.com/de/chemical/79531
Identifikatoren & physikalische Daten
| CAS No. | 5447-97-2 |
|---|
| Summenformel | C3H6BrNO2 |
|---|
| Durchschnittliche Molmasse | 167,99 g/mol |
|---|
| Monoisotopische Masse | 166,95819053 g/mol |
|---|
| SMILES | CC(C)(Br)[N+](=O)[O-] |
|---|
| InChIKey | OADSZWXMXIWZSQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 79531 |
|---|
| EC No. | 226-668-5 |
|---|
| DTXSID | DTXSID10202876 |
|---|
| Lokaler Name | 2-Brom-2-nitropropan |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|
| Polarare Oberfläche (TPSA) | 45,8 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 7 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 85,4 |
|---|
| Schmelzpunkt | 33-35 °C |
|---|
| Siedepunkt | 48 °C15 mm Hg(lit.) |
|---|
| Dichte | 1.582 g/mL at 25 °C(lit.) |
|---|
| Brechungsindex | n20/D 1.464(lit.) |
|---|
| Flammpunkt | 142 °F |
|---|
| Aggregatzustand | liquid |
|---|
| BRN | 1746626 |
|---|
| InChI | 1S/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3 |
|---|
| InChIKey | OADSZWXMXIWZSQ-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)(Br)[N+]([O-])=O |
|---|
| CAS Datenbank | 5447-97-2(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.7%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | UN 3334 |
|---|
| Zollcode | 29049095 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37 |
|---|
| Lagerklasse | 10 - Combustible liquids |
|---|
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
