2-Bromacetophenon
Phenacyl bromide
Grundinformationen
- CAS
70-11-1- Standard-SMILES
O=C(CBr)c1ccccc1- InChIKey
LIGACIXOYTUXAW-UHFFFAOYSA-N- Summenformel
- C8H7BrO
- Durchschnittliche Molmasse
- 199,04 g/mol
- Monoisotopische Masse
- 197,96802694
Überblick
Phenacyl bromide appears as a crystalline solid or a liquid with a sharp odor. Toxic by inhalation, ingestion and skin absorption. A severe eye irritant (a lachrymator). Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- Phenacyl bromide
- IUPAC
- 2-bromo-1-phenylethanone
- Lokaler Name
- 2-Bromacetophenon
- Englischer Name
- 2-Bromoacetophenone
- Summenformel
- C8H7BrO
- Molmasse
- 199.04
Namen und Synonyme
2-BromoacetophenonePhenacyl bromide70-11-12-Bromo-1-phenylethanoneBromoacetophenone2-Bromo-1-Phenylethan-1-OneBromomethyl phenyl ketoneEthanone, 2-bromo-1-phenyl-omega-BromoacetophenoneALPHA-BROMOACETOPHENONEAcetophenone, 2-bromo-Stauffer 4644
Weitere Namen anzeigen
α-BromoacetophenoneA-BROMOACETOPHENONE1-Phenyl-2-broMoethanone2-Bromoacetophenone ,99%NSC 9807AKOS BBS-00004003Bromoacetylbenzene-Bromoacetophenone
phenacylbromideBenzoylmethyl bromideomega-BromacetophenoneDTXSID2049426UN2645STAUFFER-4644phenyl bromomethyl ketoneNSC-9807
Datenbank-Bezeichner
- CAS
70-11-1- PubChem CID
- 6259
- DTXSID
DTXSID2049426
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
SpringerMaterials PropertiesChemical shift
LogP2.19
Vapor Pressure0.01 [mmHg]
Physical Description
Phenacyl bromide appears as a crystalline solid or a liquid with a sharp odor. Toxic by inhalation, ingestion and skin absorption. A severe eye irritant (a lachrymator). Used to make other chemicals.
Solid; [Merck Index] Beige crystalline solid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-51 °C (lit.)
- Siedepunkt
- 135 °C/18 · 135 °C/18 mmHg (lit.)
- Dichte
- 1.476 · 1.476
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- Flammpunkt
- 230 °F · >230 °F
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (20.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 2-bromo-1-phenyl-
2-Bromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards Summary
A lachrymator; A severe skin, eye, and mucous membrane irritant; [Merck Index] Slowly reacts with moisture producing hydrogen bromide; A lachrymator; Toxic by ingestion, inhalation, and skin absorption; [CAMEO] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Aldrich MSDS] See alpha-Chloroacetophenone.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)
Verwendung und Herstellung
Uses
Used to make other chemicals; [CAMEO]
Phenacyl bromide is an industrial and laboratory chemical.
General Manufacturing InformationEthanone, 2-bromo-1-phenyl-: ACTIVE
Anwendungen
Verwenden2-Bromoacetophenone is a brominated acteophenone derivative. 2-Bromoacetophenone has been shown to completely and irreversibly inactivate human liver aldehyde dehydrogenase (EC 1.2.1.3) isoenzymes E1 and E2. 2-Bromoacetophenone and its derivatives display some inhibitory activity on neutral protein tyrosine.inhibitors
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