5-Brompent-1-en
1-Pentene, 5-bromo-
Grundinformationen
- CAS
1119-51-3- Standard-SMILES
C=CCCCBr- InChIKey
LPNANKDXVBMDKE-UHFFFAOYSA-N- Summenformel
- C5H9Br
- Durchschnittliche Molmasse
- 149,03 g/mol
- Monoisotopische Masse
- 147,98876239
Namen und Bezeichner
- Bevorzugter Name
- 1-Pentene, 5-bromo-
- IUPAC
- 5-bromopent-1-ene
- Lokaler Name
- 5-Brompent-1-en
- Englischer Name
- 5-Bromo-1-pentene
- Summenformel
- C5H9Br
- Molmasse
- 149.03
Namen und Synonyme
5-Bromo-1-pentene1119-51-35-Bromopent-1-ene1-Pentene, 5-bromo-EINECS 214-281-4DTXSID70615125Bromopent1ene1Pentene, 5bromoRefChem:435416DTXCID6033249214-281-4InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H
Weitere Namen anzeigen
5c3-Pentenylbromide5-bC5H9Br5-bromo-1-penten-Bromo-1-pentene5-BROMOPENTENE-1
1-Bromo-4-pentene4-Pentenyl bromide5-Bromopentene5-bromo-pent-1-eneMFCD000002641-Bromo-4-pentene; 4-Pentenyl Bromide;5-bromo-pentenePent-4-enyl bromide
Datenbank-Bezeichner
- CAS
1119-51-3- PubChem CID
- 70704
- DTXSID
DTXSID7061512- UNII
- 52KT8WE89J
- EC Number
- 214-281-4
- Nikkaji
- J97.476E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 32,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -106.7 °C · -106.7°C (estimate)
- Siedepunkt
- 126 · 126-127 °C/765 mmHg (lit.)
- Dichte
- 1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.463(lit.)
- Flammpunkt
- 30 °C · 30 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform, Ethyl Acetate
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless
- Wichte
- 1.258 · 1.258
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19865
5-Bromo-1-pentene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Allyl iodide and Allyl bromide. See 3,4-Dichloro-1-butene and 3-Chloro-2-methyl-1-propene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29033036
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25-16
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Pentene, 5-bromo-: ACTIVE
Anwendungen
Beschreibung5-Bromo-1-pentene is an organic compound with a molecular weight of 149.03. The formula of this compound is C5H9Br. It is a colorless, transparent liquid. The molecular structure of this molecule contains both double bonds and bromine atoms, giving it the properties of olefins and halogenated hydrocarbons. It serves as the starting material for the synthesis of DL-histrionicotoxin and phenyl-ketone fatty acids. Additionally, it is a fundamental chemical and pharmaceutical intermediate, finding wide applications in the fields of medicine, pesticides, and material chemistry.
Verwenden5-Bromo-1-pentene is widely utilized in the stereoselective synthesis of 7alpha-(3-carboxypropyl) estradiol. It plays an important role as starting material in the synthesis of a variety of compounds including DL-histrionicotoxin and benzophenone containing fatty acids.
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