2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one

HCID 616161CAS 14386-64-2

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Grundinformationen

Standard-SMILES: CC(C)(C)c1cc(C(=O)CBr)cc(C(C)(C)C)c1O
InChIKey: UYPXQSLSPUBZQW-UHFFFAOYSA-N
Summenformel: C16H23BrO2
Durchschnittliche Molmasse: 327,26 g/mol
Monoisotopische Masse: 326,08814208

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
IUPAC: 2-bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
Englischer Name: 2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one
Summenformel: C16H23BrO2
Molmasse: 327.26

Namen und Synonyme

14386-64-22-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone2-Bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone2-bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-oneEthanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromo-MFCD001738892-bromo-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone3,5-Di(tert-butyl)-4-hydroxyphenacyl bromide2-bromo-1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-ethanone1-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-2-bromoethan-1-one3,5-di-t-butyl-4-hydroxyphenacyl bromide

Weitere Namen anzeigen

1012333,5-Bis(tert-butyl)-4-hydroxyphenacylbromide2-Bromo-3,5-di-Tert-Butyl-4-Hydroxyacetophenone2-Bromo-3',5'-di-tert-butyl-4'-hydroxyacetophenone, 97%2-bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1-ethylone1-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-bromoethanone2-Bromo-1-[3,5-di(tert-butyl)-4-hydroxyphenyl]ethan-1-one, 90+%

2-bromo-1-(3,SCHEMBL1189097DTXSID80346892SBB051670AKOS002662975AS-71986SY064536DB-024379

Datenbank-Bezeichner

CAS: 14386-64-2
PubChem CID: 616161
DTXSID: DTXSID80346892
EC Number: 634-295-8
Nikkaji: J2.043.156C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Schmelzpunkt: 105 °C · 105 °C
Siedepunkt: 347 ℃ · 347℃
Dichte: 1.23 · 1.230
Flammpunkt: 164 ℃ · 164℃
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 8.08 · 8.08±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesSkin Corr. 1B (11.4%)

Sicherheitsdaten

ridadr: UN1759
hs_code: 2914500090
risk_code: 36/37/38
hazard_code: C,T
hazard_note: Toxic/Corrosive/Lachrymatory/Keep Cold
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III

Chemie und Industrie

Darstellung

synthetischeAlso obtained by reaction of bromine with 4-hydroxy-3,5-ditert-butylacetophenone in the presence of aluminium chloride in octane at 70° for 30 min (91%).