HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromoacetamide
BROMOACETAMIDE · 2-BroMoacetMide · 2-BROMOACETAMIDE · 2-bromo-acetamid · Acetamide, 2-bromo- · 2-Bromoacetamide98% · 2-Bromoacetamide,97% · 2-Bromoacetamide >2-BROMOACETAMIDE pure
Identifikatoren & physikalische Daten
| CAS No. | 683-57-8 |
|---|---|
| Summenformel | C2H4BrNO |
| Durchschnittliche Molmasse | 137,96 g/mol |
| Monoisotopische Masse | 136,94762585 g/mol |
| SMILES | NC(=O)CBr |
| InChIKey | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
| PubChem CID | 69632 |
| ChEMBL | CHEMBL60628 |
| EC No. | 614-427-0 |
| DTXSID | DTXSID3058456 |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 44,9 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 87-91 °C(lit.) |
| Siedepunkt | 271.6±23.0 °C(Predicted) |
| Dichte | 1.4243 (rough estimate) |
| Brechungsindex | 1.4740 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | 160g/l |
| pKa (Säurekonstante) | 14.79±0.40(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 1739073 |
| InChI | InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5) |
| InChIKey | JUIKUQOUMZUFQT-UHFFFAOYSA-N |
| SMILES | C(N)(=O)CBr |
| CAS Datenbank | 683-57-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2923 8/PG 2 |
| Zollcode | 29241990 |
| RTECS-Nr. | AB4587000 |
| R-Sätze (R) | 25-34-20/21/22 |
| Gefahrensymbole | T,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromoacetamide was used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.