2-Brom-1,2-diphenylethan-1-on

2-Bromo-1,2-diphenylethan-1-one

HCID 102630CAS 1484-50-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(c1ccccc1)C(Br)c1ccccc1
InChIKey: ZFFBIQMNKOJDJE-UHFFFAOYSA-N
Summenformel: C14H11BrO
Durchschnittliche Molmasse: 275,14 g/mol
Monoisotopische Masse: 273,99932707

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1,2-diphenylethan-1-one
IUPAC: 2-bromo-1,2-diphenylethanone
Lokaler Name: 2-Brom-1,2-diphenylethan-1-on
Englischer Name: 2-Bromo-2-phenylacetophenone
Summenformel: C14H11BrO
Molmasse: 275.14

Namen und Synonyme

Desyl bromide2-Bromo-1,2-diphenylethanoneEthanone, 2-bromo-1,2-diphenyl-2-Bromo-1,2-diphenylethan-1-oneEINECS 216-057-1DTXSID308836812Bromo2phenylacetophenoneRefChem:465779Ethanone, 2bromo1,2diphenylDTXCID401023186216-057-12-Bromo-2-phenylacetophenone

Weitere Namen anzeigen

Desyl bromide 97%AKOS BBS-00000845α-BromodeoxybenzoinA-BROMODESOXY BENZOIN2-bromo-1,2-diphenyl-ethanonPhenyl(α-bromobenzyl) ketone

1484-50-0MFCD000001362-bromo-1,2-diphenyl-ethanonealpha-BromodeoxybenzoindesylbromideDesyl bromide, 97%alpha-bromodesoxibenzoineSCHEMBL627867

Datenbank-Bezeichner

CAS: 1484-50-0
PubChem CID: 102630
DTXSID: DTXSID30883681
EC Number: 216-057-1
Nikkaji: J206.691B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 227

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated

Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58 °C (lit.)
Siedepunkt: 344.8 · 344.8±22.0 °C(Predicted)
Dichte: 1.393 · 1.3930 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: 0 · 0-6°C
Löslichkeit: soluble in Toluene
Aggregatzustand: Crystalline Powder
Farbe: Beige-brown
InChI: 1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey: ZFFBIQMNKOJDJE-UHFFFAOYSA-N
SMILES: BrC(c1ccccc1)C(=O)c2ccccc2
CAS Datenbank: 1484 · 1484-50-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · Ethanone, 2-bromo-1,2-diphenyl- (1484-50-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 1759
hs_code: 29147000
risk_code: 34-36/37
hazard_code: C
safety_code: 28A-26-45-36/37/39-28-27
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 2-bromo-1,2-diphenyl-: INACTIVE

Anwendungen

VerwendenDesyl bromide has been used in:synthesis of phosphate esters of benzoin and benzoinyl N-carbobenzyloxyglycylphenylalanatenovel chemiluminogenic reaction for the sensitive determination of Arg-containing peptides