Grundinformationen
- Standard-SMILES
CCCC(Br)CC- InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N- Summenformel
- C6H13Br
- Durchschnittliche Molmasse
- 165,07 g/mol
- Monoisotopische Masse
- 164,02006252
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromohexane
- IUPAC
- 3-bromohexane
- Lokaler Name
- 3-Bromhexan
- Englischer Name
- 3-bromohexane
- Summenformel
- C6H13Br
- Molmasse
- 165.07
Namen und Synonyme
3-BROMOHEXANEHexane, 3-bromo-EINECS 222-174-9DTXSID20871017RefChem:93246DTXCID50818692222-174-9IOZOJWNUKLCDML-UHFFFAOYSA-N3377-87-5MFCD000391813-bromo-hexane3-Hexyl Bromide
Weitere Namen anzeigen
3-bromo-hexan3-BroMohexane 3-Bromohexane (stabilized with Copper chip)(contains 2-BroMohexane) (stabilized with Copper chip)3-BroMohexane (contains 2-BroMohexane) (stabilized with Copper chip)3-Bromohexane (contains 2-Bromohexane)(stabilized with Copper chip)>
SCHEMBL574546AZ67PZ328NSCHEMBL1748936SCHEMBL2801364SCHEMBL7863623SCHEMBL7873005SCHEMBL7875987AKOS009156550
Datenbank-Bezeichner
- CAS
3377-87-5- PubChem CID
- 18806
- DTXSID
DTXSID20871017- UNII
- AZ67PZ328N
- EC Number
- 222-174-9
- Nikkaji
- J97.468D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 35,2
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical diffusion
Physikochemische Eigenschaften
- Schmelzpunkt
- -44.22 °C · -44.22°C (estimate)
- Siedepunkt
- 144 · 144-146°C
- Dichte
- 1 · 1,17 g/cm3
- Brechungsindex
- 1.446 · 1.4460
- Flammpunkt
- 46 °C · 46°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light orange to Yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 1718967 · 1718967
- CAS Datenbank
- 3377 · 3377-87-5(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Hexane, 3-bromo- (3377-87-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2903691990
- risk_code
- 10
- safety_code
- 23-24/25
- hazard_class
- 3
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationHexane, 3-bromo-: INACTIVE
Anwendungen
Verwenden3-Bromohexane is used as a pharmaceutical intermediate.
Darstellung
synthetische3-Bromohexane can be prepared by the hydrobromination of 3-hexene with the following reaction equation: H3CCH2(HC=CH)CH2CH3 + HBr → H3CCH2( HCBr-CH2)CH2CH3
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