2-Bromo-1-(3-bromophenyl)ethan-1-one

HCID 519585CAS 18523-22-3

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Grundinformationen

Standard-SMILES: O=C(CBr)c1cccc(Br)c1
InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N
Summenformel: C8H6Br2O
Durchschnittliche Molmasse: 277,94 g/mol
Monoisotopische Masse: 275,87854

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-(3-bromophenyl)ethan-1-one
IUPAC: 2-bromo-1-(3-bromophenyl)ethanone
Englischer Name: 3-BROMOPHENACYL BROMIDE
Summenformel: C8H6Br2O
Molmasse: 277.94

Namen und Synonyme

2-bromo-1-(3-bromophenyl)ethan-1-oneRefChem:465913629-245-718523-22-33-Bromophenacyl bromide2,3'-Dibromoacetophenone2-Bromo-1-(3-bromophenyl)ethanoneEthanone, 2-bromo-1-(3-bromophenyl)-2-bromo-3'-bromoacetophenone3-BromophenacylbromideMFCD00082698m-bromophenacyl bromide

Weitere Namen anzeigen

AKOS BBS-00000935BUTTPARK 41\03-59à,3-dibromoacetophenoneA,3-DIBROMOACETOPHENONE2,3'-dibromoacetopheone

2-bromo-1-(3-bromo-phenyl)-ethanoneSCHEMBL3160262,3'-Dibromoacetophenone, 97%PS-10009SY0147212,3 inverted exclamation mark -Dibromoacetophenone3'-Bromophenacylbromide2-Bromo-1-(3-bromophenyl)ethanone; 2,3'-Dibromoacetophenone;

Datenbank-Bezeichner

CAS: 18523-22-3
PubChem CID: 519585
DTXSID: DTXSID80334077
EC Number: 629-245-7
Nikkaji: J82.760F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-52 °C(lit.)
Siedepunkt: 154 · 154-159 °C(Press: 10 Torr)
Dichte: 1.848 · 1.848±0.06 g/cm3(Predicted)
Flammpunkt: 110 ℃ · >110℃
storage temp.: Keep Cold
Löslichkeit: DMSO (Slightly)
Aggregatzustand: Solid
Farbe: Off-White
Wasserlöslichkeit: Insoluble in water.
BRN: 775786 · 775786
Stabilität: Moisture Sensitive
InChI: InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(Br)=C1)CBr
CAS Datenbank: 18523 · 18523-22-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory.；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.