8-Bromoct-1-en

8-Bromooct-1-ene

HCID 75907CAS 2695-48-9

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Grundinformationen

Standard-SMILES: C=CCCCCCCBr
InChIKey: SNMOMUYLFLGQQS-UHFFFAOYSA-N
Summenformel: C8H15Br
Durchschnittliche Molmasse: 191,11 g/mol
Monoisotopische Masse: 190,03571

Namen und Bezeichner

Bevorzugter Name: 8-Bromooct-1-ene
IUPAC: 8-bromooct-1-ene
Lokaler Name: 8-Bromoct-1-en
Englischer Name: 8-Bromo-1-octene
Summenformel: C8H15Br
Molmasse: 191.11

Namen und Synonyme

8-Bromo-1-octene2695-48-98-Bromooct-1-eneEINECS 220-268-4SNMOMUYLFLGQQS-UHFFFAOYSA-DTXSID30181437RefChem:547856DTXCID40103928220-268-4InChI=1/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H21-Octene, 8-bromo-MFCD00000275

Weitere Namen anzeigen

DK712bromo-8 octene-18-Bromo-1-octene 97%8-Bromooct-1-ene 98%8- Bromine-1- octene8-Bromo-1-octene >

7-Octenyl Bromide8-bromoocteneE79E33RNF78-bromo-oct-1-eneCH2=CH(CH2)6BrUNII-E79E33RNF78-Bromo-1-octene, 97%SCHEMBL346392

Datenbank-Bezeichner

CAS: 2695-48-9
PubChem CID: 75907
DTXSID: DTXSID30181437
UNII: E79E33RNF7
EC Number: 220-268-4
Nikkaji: J192.202E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 6
Schwere Atome: 9
Formalladung: 0
Komplexität: 59

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1121

1455

Physikochemische Eigenschaften

Siedepunkt: 198 · 198-199°
Dichte: 1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.467(lit.)
Flammpunkt: 78 °C · 78°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Farbe: Pale yelllow
BRN: 2234481 · 2234481
InChI: 1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey: SNMOMUYLFLGQQS-UHFFFAOYSA-N
SMILES: BrCCCCCCC=C
NIST chemische Informationen: 8 · 8-Bromo-1-octene(2695-48-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29033990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden8-Bromo-1-octene has been used in preparation of polymerizable ligand, required for the synthesis of quantum dot-labeled polymer beads. Grignard reagent derived from 8-bromo-1-octene has been used in the synthesis of (2S,3S,5R)-5-[(1R)-1-hydroxy-9-decenyl]-2-pentyltetrahydro-3-furanol. It has been used as building block in natural product synthesis. Also used for the synthesis of more complex pharmaceutical compounds, such as Dithienogermole (DTG) derivatives with varying alkyl chain lengths and pendant functionalities.