2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

HCID 2776171

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Grundinformationen

CAS: 4629-54-3
Standard-SMILES: O=C(CBr)c1ccc2c(c1)OCCO2
InChIKey: CSSHRKYOZTZFCX-UHFFFAOYSA-N
Summenformel: C10H9BrO3
Durchschnittliche Molmasse: 257,08 g/mol
Monoisotopische Masse: 255,97350625

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
IUPAC: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Englischer Name: 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Summenformel: C10H9BrO3
Molmasse: 257.08

Namen und Synonyme

4629-54-32-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-oneDTXSID60379865RefChem:465850DTXCID20330891672-824-42-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoneMFCD000994022-bromo-1-(2,3-dihydrobenzo[1,4]dioxin-6-yl)ethanone2-bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl)ethanone6-(Bromoacetyl)-2,3-dihydro-1,4-benzodioxine

Weitere Namen anzeigen

BUTTPARK 48\20-97AKOS BBS-000028826-(2-Bromoacetyl)-1,4-benzodioxane1,4-BENZODIOXAN-6-YLBROMOMETHYLKETONE1,4-benzodioxan-6-yl broMoMethyl (7CI,8CI)2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl]

2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl]ethanone1-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-bromoethan-1-one3,4-(ethylenedioxy)phenacyl bromide2-Bromo-1-(2,3-dihydrobenzo[1,4]-dioxin-6-yl] ethanoneEthanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-SCHEMBL6278472-bromo-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanoneEthanone,2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-

Datenbank-Bezeichner

CAS: 4629-54-3
PubChem CID: 2776171
DTXSID: DTXSID60379865
EC Number: 672-824-4
Nikkaji: J1.806.743I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 115 °C · 115 °C
Siedepunkt: 360.6 · 360.6±42.0 °C(Predicted)
Dichte: 1.576 · 1.576±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
CAS Datenbank: 4629 · 4629-54-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.