1,2-Dibromtetrachlorethan

1,2-Dibromo-1,1,2,2-tetrachloroethane

HCID 69426CAS 630-25-1

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Grundinformationen

Standard-SMILES: ClC(Cl)(Br)C(Cl)(Cl)Br
InChIKey: WJUKOGPNGRUXMG-UHFFFAOYSA-N
Summenformel: C2Br2Cl4
Durchschnittliche Molmasse: 325,6 g/mol
Monoisotopische Masse: 321,71208492

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1,2-Dibromo-1,1,2,2-tetrachloroethane
IUPAC: 1,2-dibromo-1,1,2,2-tetrachloroethane
Lokaler Name: 1,2-Dibromtetrachlorethan
Englischer Name: 1,2-Dibromotetrachloroethane
Summenformel: C2Br2Cl4
Molmasse: 325.64

Namen und Synonyme

1,2-Dibromotetrachloroethane630-25-11,2-Dibromo-1,1,2,2-tetrachloroethaneEthane, 1,2-dibromo-1,1,2,2-tetrachloro-0SGG217EFRDTXSID20212209RefChem:71834DTXCID70134700211-136-7Dbtcesym-DibromotetrachloroethaneMFCD00000780

Weitere Namen anzeigen

1,2-DibromotetrachL11,2-DIBROMOTETRACHLOROETHANEEthane, 1,2-dibromo-tetrachloro-1,2-DibroMotetrachloroethane 97%1,2-Dibromotetrachloroethane,97%

UNII-0SGG217EFREINECS 211-136-7C2Br2Cl4BrCCl2CCl2BrBRN 1699471AI3-631711,2-dibrom-tetrachlorethaneSCHEMBL320888

Datenbank-Bezeichner

CAS: 630-25-1
PubChem CID: 69426
DTXSID: DTXSID20212209
UNII: 0SGG217EFR
EC Number: 211-136-7
Nikkaji: J79.772C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 78

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: 215 · 215-220 °C (dec.) (lit.)
Siedepunkt: 219 ℃ · 219℃
Dichte: 2.713 g/mL · 2.713 g/mL at 25 °C (lit.)
Brechungsindex: 1.51 · 1.5100 (estimate)
Flammpunkt: 105 ℃ · 105℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
Farbe: White to beige
Wasserlöslichkeit: Insoluble in water.
BRN: 1699471 · 1699471
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8
InChIKey: WJUKOGPNGRUXMG-UHFFFAOYSA-N
SMILES: C(Br)(Cl)(Cl)C(Br)(Cl)Cl
CAS Datenbank: 630 · 630-25-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (13.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,2-Dibromotetrachloroethane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (13.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29037800
RTECS-Nr.: KH9366000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung1, 2-dibromotetrachloroethane (DBTCE) is a commonly used and mild bromination reagent, suitable for the bromination reaction of alkenes. DBTCE can effectively inhibit the Wagner-Meerwein rearrangement reaction during the bromination process of bicyclic alkenes. In addition, DBTCE is also used to establish a room-temperature catalytic cycle to convert thiocarbonyl compounds into their oxygen analogues. Because DBTCE is relatively expensive, it has not been classified as an ozone-depleting substance.

Verwenden1,2-dibromotetrachloroethane is used as a fire-proofing agent. It is actively involved in the conversion of sulfones to alkenes by Ramberg-Backlund rearrangement. It is an effective replacement for ozone depleting solvents like dibromodifluoromethane and tetrabromodifluoroethane. It is also utilized as a brominating reagent. In analytical chemistry, it is used in quantitative determination of perhalogenated compounds by high-performance liquid chromatography (HPLC).