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Bromacetylbromid
2-BROMOACETYL BROMIDE · acetylbromide,bromo- · bromoacetyl · BroMoacetyl br · AKOS BBS-00004286 · bromo-acetylbromid · ?BROMOACETYL?BROMI · Brominemonobromide
Identifikatoren & physikalische Daten
| CAS No. | 598-21-0 |
|---|---|
| Summenformel | C2H2Br2O |
| Durchschnittliche Molmasse | 201,84 g/mol |
| Monoisotopische Masse | 199,84723888 g/mol |
| SMILES | O=C(Br)CBr |
| InChIKey | LSTRKXWIZZZYAS-UHFFFAOYSA-N |
| PubChem CID | 61147 |
| EC No. | 209-923-5 |
| DTXSID | DTXSID1060506 |
| Lokaler Name | Bromacetylbromid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 42,9 |
| Stoffklassen | Other Classes -> Halogenated KetonesCorrosives |
| SpringerMaterials Properties | Schoenflies notation |
| Dichte | 2.317 at 68 °F (USCG, 1999) - Denser than waterwill sink2.324 g/mL at 20 °C |
| Siedepunkt | 298 °F at 760 mmHg (USCG, 1999)147-150 °C(lit.) |
| Physical Description | Bromoacetyl bromide appears as a water-white liquid with a pungent odor. Denser than water. Irritates skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.Fuming water-white liquid with a pungent odor[CAMEO] Colorless to light yellow liquid with an extremely irritating odor[CHRIS] Dark brown liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 148.5°C (estimate) |
| Dampfdruck | 3.8 mm Hg ( 25 °C) |
| Brechungsindex | n20/D 1.547(lit.) |
| Flammpunkt | >105°C |
| Lagerbedingungen | Refrigerator (+4°C) |
| Löslichkeit | soluble in ChloroformREACTS |
| Aggregatzustand | Powder |
| Farbe | White |
| BRN | 605440 |
| Dielektrizitätskonstante | 12.6(20℃) |
| Stabilität | Stable, but reacts violently with water. Incompatible with water, moisture, alcohols, strong bases, strong oxidizing agents. |
| InChI | 1S/C2H2Br2O/c3-1-2(4)5/h1H2 |
| InChIKey | LSTRKXWIZZZYAS-UHFFFAOYSA-N |
| SMILES | BrCC(Br)=O |
| LogP (Verteilungskoeffizient) | -0.04 at 25℃ |
| CAS Datenbank | 598-21-0(CAS DataBase Reference) |
| NIST chemische Informationen | Bromoacetyl bromide(598-21-0) |
| EPA chemische Informationen | Acetyl bromide, 2-bromo- (598-21-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 73 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Acetyl bromide, bromo-Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17142Bromoacetyl bromide: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Special Hazards of Combustion Products: Heat of fire can cause decomposition, with evolution of highly toxic and irritating hydrogen bromide and bromophosgene vapors.· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Inhalation causes severe irritation of upper respiratory system. External contact causes severe irritation of eyes and skin. Ingestion causes severe irritation of mouth and stomach. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Gefahrenübersicht | Reacts violently with water evolving hydrogen bromideCauses severe skin irritation and serious eye injuryBrief contact can cause second- and third-degree skin burns[CHRIS] Readily hydrolyzesCauses burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Dichloroacetone. See Hydrogen bromide. |
| DOT-Nummer und Handbuch | 2513 156 |
| Reaktive Gruppe | Halogenated Organic Compounds |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | BROMOACETYL BROMIDE is incompatible with water, with bases (including amines), with strong oxidizing agents, with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. Decomposes when heated with evolution of highly toxic and irritating hydrogen bromide and bromophosgene vapors. |
| DOT Hazard Classification | Bromoacetyl bromideUN2513Class 8 Corrosive material (49 eCFR § 173.136)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Fumes in air. Reacts violently with water to form hydrobromic acid (HBr) (USCG 1991). |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Corrosives, Reactive agents - 2nd degree |
| Brandbekämpfung | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | INHALATION: Remove from exposuresupport respiration, call physician.General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Acid-type canister maskself-contained breathing apparatus (full face)rubber gloves and full protective clothing. (USCG, 1999) |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2513 |
| Zollcode | 29159080 |
| R-Sätze (R) | 34-14 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-8-30-25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Bromoacetyl bromide is widely used in the synthesis of fine chemicals, agrochemicals, dyes and pharmaceuticals. As an acylating agent, it reacts with 10H-phenothiazine to give 10-bromoacetyl-10H-phenothiazine. Similarly, it is also involved in the preparation of bromoactylated starch which is a biodegradable thermoplastic copolymer.