Grundinformationen
- CAS
107-80-2- Standard-SMILES
CC(Br)CCBr- InChIKey
XZNGUVQDFJHPLU-UHFFFAOYSA-N- Summenformel
- C4H8Br2
- Durchschnittliche Molmasse
- 215,91 g/mol
- Monoisotopische Masse
- 213,89927446
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Dibromobutane
- IUPAC
- 1,3-dibromobutane
- Lokaler Name
- 1,3-Dibrombutan
- Englischer Name
- 1,3-Dibromobutane
- Summenformel
- C4H8Br2
- Molmasse
- 215.91
Namen und Synonyme
1,3-DIBROMOBUTANEButane, 1,3-dibromo-EINECS 203-520-8DTXSID308704551,3ButylenebromideButane, 1,3dibromoRefChem:72603DTXCID50818177203-520-8XZNGUVQDFJHPLU-UHFFFAOYSA-N107-80-21,3 dibromobutane
Weitere Namen anzeigen
1,3-Dibrombutan1,3-dibromo-butanbutane,1,3-dibromo-1,3-Dibromobutane >1,3-DIBROMOBUTANE, 98+%1,3-Dibromobutane, 97+%
MFCD000001521,3-dibromo-butane1,3-Butylene BromideBR12401,3-Butylenebromide1,3-dibromo butane1,3-Dibromobutane, 97%SCHEMBL1137164
Datenbank-Bezeichner
- CAS
107-80-2- PubChem CID
- 7889
- DTXSID
DTXSID30870455- EC Number
- 203-520-8
- Nikkaji
- J4.065G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 28,7
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -25.98 °C · -25.98°C (estimate)
- Siedepunkt
- 175 °C · 175 °C (lit.)
- Dichte
- 1.8 g/mL · 1.8 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5080(lit.)
- Flammpunkt
- 173 · 173-176°C
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- INSOLUBLE
- BRN
- 1731231 · 1731231
- InChI
- 1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
- InChIKey
- XZNGUVQDFJHPLU-UHFFFAOYSA-N
- SMILES
- CC(Br)CCBr
- CAS Datenbank
- 107 · 107-80-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Butane, 1,3-dibromo-(107-80-2)
- EPA chemische Informationen
- 1 · Butane, 1,3-dibromo- (107-80-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1,4-Dibromobutane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29033036
- risk_code
- 36/37/38-36/38
- hazard_code
- Xi,C
- safety_code
- 26-36-37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationButane, 1,3-dibromo-: ACTIVE
Anwendungen
Verwenden1,3-Dibromobutane is a useful reagent in organic synthesis.
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