1-(4-Azidophenyl)-2-bromethan-1-on

4-Azidophenacyl bromide

HCID 92627CAS 57018-46-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: [N-]=[N+]=Nc1ccc(C(=O)CBr)cc1
InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N
Summenformel: C8H6BrN3O
Durchschnittliche Molmasse: 240,06 g/mol
Monoisotopische Masse: 238,96942391

Überblick

photolabile bifunctional reagent; bromide is an integral part of cpd; structure

Namen und Bezeichner

Bevorzugter Name: 4-Azidophenacyl bromide
IUPAC: 1-(4-azidophenyl)-2-bromoethanone
Lokaler Name: 1-(4-Azidophenyl)-2-bromethan-1-on
Englischer Name: 4-AZIDOPHENACYL BROMIDE
Summenformel: C8H6BrN3O
Molmasse: 240.06

Namen und Synonyme

4-Azidophenacyl bromide57018-46-9p-Azidophenacyl Bromide4-azidophenacylbromideEthanone, 1-(4-azidophenyl)-2-bromo-POZ2E56V0YDTXSID30205627APA bromideRefChem:97933DTXCID60128118260-519-51-(4-azidophenyl)-2-bromoethanone

Weitere Namen anzeigen

4'-Azido-α-bromoacetophenone4μ-Azido-2-bromoacetophenone, 4-Azido-α-bromoacetophenone1-(4-Azidophenyl)-2-bromoethan-1-one, 4-(Bromoacetyl)phenyl azide

4-Azidophenacyl bromide powder1-(4-Azidophenyl)-2-bromoethan-1-one4'-Azido-2-bromoacetophenoneMFCD000426371-(4-Azidophenyl)-2-bromo-ethanoneUNII-POZ2E56V0YEINECS 260-519-5orb2939607

Datenbank-Bezeichner

CAS: 57018-46-9
PubChem CID: 92627
DTXSID: DTXSID30205627
UNII: POZ2E56V0Y
EC Number: 260-519-5
Nikkaji: J267.368A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 31,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-65 °C
storage temp.: 2 · 2-8°C
Löslichkeit: 50 mg/mL · methanol: 50 mg/mL
Aggregatzustand: powder
Farbe: yellow
BRN: 1961705 · 1961705
Stabilität: Light, Temperature And Moisture Sensitive, Temperature and Moisture sensitive
InChI: 1S/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2
InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N
SMILES: BrCC(=O)c1ccc(cc1)N=[N+]=[N-]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P233, P240, P241, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

Sicherheitsdaten

F: 4.5-8-10-19
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29299090
risk_code: 11-34-42/43
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 4.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Eye Dam. 1Flam. Sol. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Biologically active molecules which are covalently bound to the enzymes or binding proteins normally acting on them. Binding occurs due to activation of the label by ultraviolet light. These labels are used primarily to identify binding sites on proteins.

Anwendungen · 1 Eintrag

Verwenden4-AZIDOPHENACYL BROMIDE is a versatile photolabile bifunctional reagent. Useful for investigating the active sites of sulfhydryl enzymes-particularly those which posess a particularly reactive cysteine residue at the active site. Used to study the nature of the ribosomal binding site of E. coli tRNAVal.