4-Bromophenacyl bromide (HCID 7454)

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)-2,4-dibromoacetophenoneParabromophenacyl bromidePN0FRW1G4ZDTXSID4059201NSC-6224bromophenacylbromidePBPAB

Weitere Namen anzeigen

PBPBp-bromophenacyl-8AKOS BBS-00000865GSK-3β Inhibitor VII

alpha-para-dibromoacetophenoneRefChem: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 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

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
Wasserlöslichkeit: Soluble in dimethyl sulfoxide (5 mg/ml), methanol (20 mg/ml), toluene and ethanol. Insoluble in water.
Merck: 14 · 14,1427
BRN: 607604 · 607604
Stabilität: Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents.
InChI: 1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(Br)cc1
CAS Datenbank: 99 · 99-73-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · Ethanone, 2-bromo-1-(4-bromophenyl)- (99-73-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

F: 19-21
wgk: 2
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29147090
RTECS-Nr.: AM6950000
risk_code: 34
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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 · 1 Eintrag

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.