1-(4-Bromo-2-thienyl)ethan-1-one

HCID 2735237

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Grundinformationen

CAS: 7209-11-2
Standard-SMILES: CC(=O)c1cc(Br)cs1
InChIKey: HXVLWNKFMNRJED-UHFFFAOYSA-N
Summenformel: C6H5BrOS
Durchschnittliche Molmasse: 205,07 g/mol
Monoisotopische Masse: 203,92445

Namen und Bezeichner

Bevorzugter Name: 1-(4-Bromo-2-thienyl)ethan-1-one
IUPAC: 1-(4-bromothiophen-2-yl)ethanone
Englischer Name: 1-(4-BROMO-2-THIENYL)ETHAN-1-ONE
Summenformel: C6H5BrOS
Molmasse: 205.07

Namen und Synonyme

1-(4-Bromo-2-Thienyl)Ethan-1-OneRefChem:424897639-335-82-acetyl-4-bromothiophene7209-11-21-(4-bromothiophen-2-yl)ethanone1-(4-Bromo-2-thienyl)-1-ethanone1-(4-Bromothiophen-2-yl)ethan-1-oneMFCD015665524-bromo-2-acetylthiophene1-(4-Bromo-2-Thienyl)Ethanone1-(4-Bromothien-2-yl)ethanone

Weitere Namen anzeigen

AKOS B020506BUTTPARK 95\04-34ART-CHEM-BB B0205062-Acetyl-4-bromothiophene 97%

Ethanone, 1-(4-bromo-2-thienyl)-1-(4-Bromo-2-ThSCHEMBL34504-bromo-2-acetyl-thiophene(4-bromothien-2-yl)ethanoneDTXSID80370632HXVLWNKFMNRJED-UHFFFAOYSA-NGEO-00023

Datenbank-Bezeichner

CAS: 7209-11-2
PubChem CID: 2735237
DTXSID: DTXSID80370632
EC Number: 639-335-8
Nikkaji: J3.319.524I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Siedepunkt: 66 · 66-67°C 0,2mm
Dichte: 1.619 · 1.619±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
CAS Datenbank: 7209 · 7209-11-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.