Grundinformationen
- Standard-SMILES
O=C(Br)CBr- InChIKey
LSTRKXWIZZZYAS-UHFFFAOYSA-N- Summenformel
- C2H2Br2O
- Durchschnittliche Molmasse
- 201,84 g/mol
- Monoisotopische Masse
- 199,84723888
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Bromoacetyl bromide
- IUPAC
- 2-bromoacetyl bromide
- Lokaler Name
- Bromacetylbromid
- Englischer Name
- Bromoacetyl bromide
- Summenformel
- C2H2Br2O
- Molmasse
- 201.84
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
598-21-0- PubChem CID
- 61147
- DTXSID
DTXSID1060506- UNII
- GV64Q4VP87
- EC Number
- 209-923-5
- Nikkaji
- J474J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 42,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Ketones
Corrosives
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 148.5 °C · 148.5°C (estimate)
- Siedepunkt
- 147 · 147-150 °C(lit.)
- Dichte
- 2.324 g/mL · 2.324 g/mL at 20 °C
- Dampfdruck
- 3.8 mm · 3.8 mm Hg ( 25 °C)
- Brechungsindex
- 20 · n20/D 1.547(lit.)
- Flammpunkt
- 105 °C · >105°C
- storage temp.
- Refrigerator (+4°C)
- Löslichkeit
- soluble in Chloroform
- Aggregatzustand
- Powder
- Farbe
- White
- Wasserlöslichkeit
- REACTS
- BRN
- 605440 · 605440
- Dielectric constant
- 12.6 · 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
- -0.04 at · -0.04 at 25℃
- CAS Datenbank
- 598 · 598-21-0(CAS DataBase Reference)
- NIST chemische Informationen
- Bromoacetyl bromide(598-21-0)
- EPA chemische Informationen
- 2 · Acetyl bromide, 2-bromo- (598-21-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (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
Gefahrenhinweise
Regulatory Information
Chemical: Acetyl bromide, bromo-
Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17142
Bromoacetyl bromide: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Fire Hazards
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.
Health Hazards
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 CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Reacts violently with water evolving hydrogen bromide; Causes severe skin irritation and serious eye injury; Brief contact can cause second- and third-degree skin burns; [CHRIS] Readily hydrolyzes; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Dichloroacetone. See Hydrogen bromide.
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 bromide
UN2513
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Corrosives, Reactive agents - 2nd degree
Sicherheit und Schutzausrüstung
Accidental Release Measures
· 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.
First Aid
INHALATION: Remove from exposure; support respiration, call physician.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Toxikologische Informationen
Sicherheitsdaten
- F
- 10-19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2513
- hs_code
- 29159080
- risk_code
- 34-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-30-25
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenBromoacetyl 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.
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