2-Brompropionsure
(S)-2-BROMOPROPANOIC ACID · 2-BROMOPROPANAMIDE · A-BROMOPROPIONIC ACID · ALPHA-BROMOPROPIONIC ACID · 2-broMide · 3-(3-(4'2-Bromopropion · -Bromo-[1,1'DL-2-Bromopropionic · RARECHEM AL BO 1266
Identifikatoren & physikalische Daten
| CAS No. | 598-72-1 |
|---|---|
| Summenformel | C3H5BrO2 |
| Durchschnittliche Molmasse | 152,97 g/mol |
| Monoisotopische Masse | 151,9472915 g/mol |
| SMILES | CC(Br)C(=O)O |
| InChIKey | MONMFXREYOKQTI-UHFFFAOYSA-N |
| PubChem CID | 11729 |
| ChEMBL | CHEMBL3182324 |
| EC No. | 209-947-6 |
| DTXSID | DTXSID9027233 |
| Lokaler Name | 2-Brompropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 61,8 |
| Stoffklassen | Other Classes -> Organic Acids |
| Dampfdruck | 0.29 [mmHg] |
| Physical Description | LiquidColorless meltmp = 25 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 25.7°C |
| Siedepunkt | 203 °C (lit.) |
| Dichte | 1.7 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.475(lit.) |
| Flammpunkt | 212 °F |
| Lagerbedingungen | room temp |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | pK1: 2.971 (25°C) |
| Wichte | 1.7 |
| Farbe | Clear colorless to yellow |
| Löslichkeit | soluble |
| BRN | 605451 |
| Dielektrizitätskonstante | 11.0 |
| Hauptanwendungen | environmental |
| InChI | 1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6) |
| InChIKey | MONMFXREYOKQTI-UHFFFAOYSA-N |
| NIST chemische Informationen | 2-Bromopropanoic acid(598-72-1) |
| EPA chemische Informationen | Propanoic acid, 2-bromo- (598-72-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-bromo-Propanoic acid, 2-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-bromo- 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)Status: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/105912-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes other degenerative changes in brain, ataxia, changes in sodium, and muscle weakness in 2- and 3-day intermittent oral studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion[Alfa Aesar MSDS] See 3-Bromopropionic acid. |
| Hazard Classes and Categories | Acute Tox. 3 (69.9%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | UA2451715 |
| R-Sätze (R) | 22-34-40-36/37/38-38-11 |
| Gefahrensymbole |
Anwendungen & Verwendung
Verwenden
It is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds.
Herstellung & Synthese
synthetische
2-Bromopropionic acid is obtained by bromination of propionic acid. Add propionic acid and phosphorus trichloride to the reaction kettle, keep the temperature at 80°C, slowly add bromine to the reaction solution dropwise, and heat up to 85°C after the addition of bromine, and raise the temperature to 100°C when the color of bromine disappears completely, it takes about 2~3h, and then the bromine and hydrobromic acid are recovered under reduced pressure, and then the finished product is obtained by distillation under reduced pressure.