2,2-Dibrompropan

2,2-Dibromopropane

HCID 11658CAS 594-16-1

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Grundinformationen

Standard-SMILES: CC(C)(Br)Br
InChIKey: ARITXYXYCOZKMU-UHFFFAOYSA-N
Summenformel: C3H6Br2
Durchschnittliche Molmasse: 201,89 g/mol
Monoisotopische Masse: 199,88362439

Namen und Bezeichner

Bevorzugter Name: 2,2-Dibromopropane
IUPAC: 2,2-dibromopropane
Lokaler Name: 2,2-Dibrompropan
Englischer Name: 2,2-Dibromopropane
Summenformel: C3H6Br2
Molmasse: 201.89

Namen und Synonyme

2,2-DIBROMOPROPANEPropane, 2,2-dibromo-GH5NDU3B4EEINECS 209-828-92,2-DIBROMOPROPANDTXSID0060482RefChem:80960DTXCID0042616209-828-9ARITXYXYCOZKMU-UHFFFAOYSA-NInChI=1/C3H6Br2/c1-3(2,4)5/h1-2H594-16-1

Weitere Namen anzeigen

Bromoacetoleacetone dibromide2,2-Dibromopropane >2,2-Dibromopropane,98%Isopropylidene dibromide

MFCD000001192,2-dibromo-propandibromo propane2-Dibrompropan22-Dibromopropane2,2-dibromo-propaneUNII-GH5NDU3B4ESCHEMBL1013573

Datenbank-Bezeichner

CAS: 594-16-1
PubChem CID: 11658
DTXSID: DTXSID0060482
UNII: GH5NDU3B4E
EC Number: 209-828-9
Nikkaji: J2.704I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 27,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -44.69 °C · -44.69°C (estimate)
Siedepunkt: 114 °C · 114 °C (740 mmHg)
Dichte: 1.78 · 1.78
Brechungsindex: 1.495 · 1.495-1.499
Flammpunkt: 113 °C · 113 °C
Aggregatzustand: Liquid
Farbe: Colorless to pale yellow
InChI: InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
InChIKey: ARITXYXYCOZKMU-UHFFFAOYSA-N
SMILES: CC(Br)(Br)C
EPA chemische Informationen: 2 · Propane, 2,2-dibromo- (594-16-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 23-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33384

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

tsca: TSCA listed
ridadr: 2810
hs_code: 29033990
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39-24/25
hazard_class: 6.1(b)
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 2,2-dibromo-: INACTIVE

Anwendungen

Verwenden2,2-dibromopropane is used in organic synthesis. dimethyl isopropenylsuccinate was formed as a by-product in the reaction of 2,2-dibromopropane.

Darstellung · 1 Eintrag

synthetische2,2-Dibromopropane synthesis: Ethyl bicyclic phosphite (3.5g, 0.025mole) and acetone (1.5g, 1. 9ml, 0.025mole) were dissolved in thirty ml benzene in a one-neck 100ml 19/22 standard taper flask and the solution was cooled to 5° by an ice bath. The solution was stirred by a magnetic stirrer and bar, and to it was added bromine (4g, 0.025mole) dropwise from a dropping funnel. The reaction proceeded immediately as no dibromide intermediate appeared, and after completion of halogen addition the solution was stirred for half an hour in the cold, and then analyzed for dihaloalkane . Analysis on the Beckman GC-2A Gas Chr omatograph indicated the presence of 2,2-Dibromopropane, and the yield was calculated as previously described. Yield: 1.56g, 31%.2,2-dibromopropane is also prepared by Hydrogen bromide and propyne.