CAS 23489-36-3 1-(1-Benzofuran-2-Yl)-2-Bromoethan-1-One (HCID 2735451)

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Grundinformationen

CAS: 23489-36-3
Standard-SMILES: O=C(CBr)c1cc2ccccc2o1
InChIKey: NVRNCBWTEDOAQA-UHFFFAOYSA-N
Summenformel: C10H7BrO2
Durchschnittliche Molmasse: 239,06 g/mol
Monoisotopische Masse: 237,96294156

Namen und Bezeichner

Bevorzugter Name: 1-(1-Benzofuran-2-Yl)-2-Bromoethan-1-One
IUPAC: 1-(1-benzofuran-2-yl)-2-bromoethanone
Englischer Name: 1-(1-Benzofuran-2-yl)-2-bromoethan-1-one
Summenformel: C10H7BrO2
Molmasse: 239.07

Namen und Synonyme

23489-36-31-(1-Benzofuran-2-Yl)-2-Bromoethan-1-OneDTXSID90370729RefChem:222382DTXCID60321763686-923-51-(benzofuran-2-yl)-2-bromoethanone1-(1-benzofuran-2-yl)-2-bromoethanone2-(2-bromoacetyl)benzofuran2-(Bromoacetyl)benzofuranEthanone, 1-(2-benzofuranyl)-2-bromo-MFCD00176644

Weitere Namen anzeigen

Entecavir-13C2AKOS BBS-000040782-(Bromoacetyl)benzo[b]fu2-(Bromoacetyl)benzofuran 97%2-(2-Bromoacetyl)benzo[b]furan2-(Bromoacetyl)benzo[b]furan90%2-(Bromoacetyl)benzo[b]furan 90%

1-Benzofuran-2-yl-2-bromo-ethanone2-(BROMOACETYL)BENZO[B]FURAN2-bromoacetylbenzofuranAKOS000115680EN300-01885D73269F8889-92341-benzo[d]furan-2-yl-2-bromoethan-1-one

Datenbank-Bezeichner

CAS: 23489-36-3
PubChem CID: 2735451
DTXSID: DTXSID90370729
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 205

Physikochemische Eigenschaften

Schmelzpunkt: 89 °C · 89 °C
Siedepunkt: 306.8 · 306.8±17.0 °C(Predicted)
Dichte: 1.582 · 1.582±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
InChI: 1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
InChIKey: NVRNCBWTEDOAQA-UHFFFAOYSA-N
SMILES: BrCC(=O)c1cc2ccccc2o1
CAS Datenbank: 23489 · 23489-36-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 2
ridadr: 3261
hs_code: 29329990
risk_code: 34-22
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Eschenmoser coupling reactionPreparation of β-oxo sulfones as substrates for stereoselective Michael addition/cross-benzoin cascade reactionsPreparation of thienylpyrazole-based thiazoles and pyrazolines as antimicrobial, antioxidant, anti-inflammatory, and analgesic agentsPreparation of isatin-(benzofuryl-thiazolyl)-hydrazones by cyclocondensation with isatin-thiosemicarbazones under microwave irradiation as antimicrobial agentsSynthesis of 2-naphthyl ethers as a protective agent against DNA damage induced by bleomycin-ironAsymmetric synthesis of β-dialkylamino alcohols by Ru-catalyzed transfer hydrogenation of α-dialkylamino ketones