2,4'-Dibromacetophenon
4-Bromophenacyl bromide
Grundinformationen
- CAS
99-73-0- Standard-SMILES
O=C(CBr)c1ccc(Br)cc1- InChIKey
FKJSFKCZZIXQIP-UHFFFAOYSA-N- Summenformel
- C8H6Br2O
- Durchschnittliche Molmasse
- 277,94 g/mol
- Monoisotopische Masse
- 275,87854
Überblick
phospholipidase A(2) inhibitor; structure
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromophenacyl bromide
- IUPAC
- 2-bromo-1-(4-bromophenyl)ethanone
- Lokaler Name
- 2,4'-Dibromacetophenon
- Englischer Name
- 2,4'-Dibromoacetophenone
- Summenformel
- C8H6Br2O
- Molmasse
- 277.94
Namen und Synonyme
2,4'-Dibromoacetophenone99-73-04-Bromophenacyl bromidep-Bromophenacyl bromideEthanone, 2-bromo-1-(4-bromophenyl)-bromophenacylbromideParabromophenacyl bromidePBPAB2,4-dibromoacetophenonealpha-para-dibromoacetophenonePN0FRW1G4ZDTXSID4059201
Weitere Namen anzeigen
PBPBp-bromophenacyl-8AKOS BBS-00000865GSK-3β Inhibitor VII
NSC-6224RefChem:858009DTXCID4049111202-783-6bromophenacyl bromide2-Bromo-1-(4-bromophenyl)ethanone2-bromo-1-(4-bromophenyl)ethan-1-one2-bromo-1-(4-bromophenyl)-ethanone
Datenbank-Bezeichner
- CAS
99-73-0- PubChem CID
- 7454
- DTXSID
DTXSID4059201- ChEMBL
CHEMBL142826- UNII
- PN0FRW1G4Z
- EC Number
- 202-783-6
- Nikkaji
- J3.227A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 139
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionSolid; [Merck Index] Off-white crystalline powder with a pungent odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 108 · 108-110 °C(lit.)
- Siedepunkt
- 1415 °C/760mm · 1415°C/760mm
- Dichte
- 1.7855 · 1.7855 (rough estimate)
- Brechungsindex
- 1.556 · 1.5560 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 2 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): insol
- Aggregatzustand
- Crystalline Solid
- Farbe
- Slightly yellow to beige
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 2-bromo-1-(4-bromophenyl)-
2,4'-Dibromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See alpha-Chloroacetophenone.
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 19-21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29147090
- RTECS-Nr.
- AM6950000
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Verwendung und Herstellung
UsesUsed to identify carboxylic acids; [Merck Index] Phospholipidase A(2) inhibitor. [ChemIDplus]
General Manufacturing InformationEthanone, 2-bromo-1-(4-bromophenyl)-: ACTIVE
Anwendungen
Verwenden2,4'-Dibromoacetophenone is used as a reagent for analysis of fatty acids by HPLC as 4-bromophenacyl esters, for use in the protection of phenols and carboxylic acids. It undergoes condensation reactions with aldehydes in the presence of SnCl2 or SmI3 to afford α,β-unsaturated ketones. It is also useful in the esterification of carboxylic acids.
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