1,4-Dibromo-2,3-butanedione (HCID 22747)

Namen und Bezeichner

Bevorzugter Name: 1,4-Dibromo-2,3-butanedione
IUPAC: 1,4-dibromobutane-2,3-dione
Englischer Name: 1,4-Dibromo-2,3-butanedione
Summenformel: C4H4Br2O2
Molmasse: 243.88

Namen und Synonyme

1,4-Dibromo-2,3-butanedione6305-43-72,3-BUTANEDIONE, 1,4-DIBROMO-1,4-DibromobutanedioneNHZ2FG6JE3NSC-41130NSC-75722DTXSID9064219DBBDRefChem:416709DTXCID6043624228-615-1

Weitere Namen anzeigen

SKL239SYM-DIBROMODIACETYLà,à'-dibromobiacetyl2,2’-dibromobiacetyl1,4-dibromo-3-butanedionealpha,alpha’-dibromobiacetyl

1,4-Dibromobutane-2,3-dione2,2'-Dibromobiacetylalpha,alpha'-DibromobiacetylS 671,4-DibromodiacetylEINECS 228-615-1NSC 41130NSC 75722

Datenbank-Bezeichner

CAS: 6305-43-7
PubChem CID: 22747
DTXSID: DTXSID9064219
ChEBI: CHEBI:188852
UNII: NHZ2FG6JE3
EC Number: 228-615-1
Nikkaji: J42.099I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 96

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLight yellow powder; [Aldrich MSDS] Irritating odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119 °C (lit.)
Siedepunkt: 213 · 213.0±25.0 °C(Predicted)
Dichte: 2.0524 · 2.0524 (rough estimate)
Brechungsindex: 1.522 · 1.5220 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: powder
Wasserlöslichkeit: Insoluble in water.
BRN: 970154 · 970154
InChI: InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2
InChIKey: RZMOICJDRADLCT-UHFFFAOYSA-N
SMILES: C(Br)C(=O)C(=O)CBr
CAS Datenbank: 6305 · 6305-43-7(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,3-Butanedione, 1,4-dibromo- (6305-43-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.7%): 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 43 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.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Causes acute pulmonary edema and diffuse hepatitis in intravenous lethal-dose studies of dogs; [RTECS] A skin and strong eye irritant; [Aldrich MSDS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)；Eye Irrit. 2 (90.7%)；STOT SE 3 (90.7%)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Dermatotoxin - Skin burns.