1-Bromundecan

1-Bromoundecane

HCID 12744CAS 693-67-4

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCBr
InChIKey: IKPSIIAXIDAQLG-UHFFFAOYSA-N
Summenformel: C11H23Br
Durchschnittliche Molmasse: 235,2 g/mol
Monoisotopische Masse: 234,09831284

Namen und Bezeichner

Bevorzugter Name: 1-Bromoundecane
IUPAC: 1-bromoundecane
Lokaler Name: 1-Bromundecan
Englischer Name: 1-Bromoundecane
Summenformel: C11H23Br
Molmasse: 235.2

Namen und Synonyme

1-BROMOUNDECANEUndecyl bromiden-Undecyl bromideUndecane, 1-bromo-n-Undecyl-1-bromideDTXSID2049349DTXCID9029308EINECS 211-757-3Undecane, 1bromoRefChem:75183211-757-3IKPSIIAXIDAQLG-UHFFFAOYSA-N

Weitere Namen anzeigen

Undecylbromid1-Bromundecan1-bromo-undecan1-Undecylbromide1-Bromoundecanolundecane,1-bromo-

693-67-4Hendecyl Bromide1-bromo-undecanebromoundecaneundecylbromide1-BROMO UNDECANEMFCD00000223LJV3NK56M6

Datenbank-Bezeichner

CAS: 693-67-4
PubChem CID: 12744
DTXSID: DTXSID2049349
ChEMBL: CHEMBL3188046
UNII: LJV3NK56M6
EC Number: 211-757-3
Nikkaji: J538J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 9
Schwere Atome: 12
Formalladung: 0
Komplexität: 71,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 9 °C · −9 °C(lit.)
Siedepunkt: 137 · 137-138 °C18 mm Hg(lit.)
Dichte: 1.054 g/mL · 1.054 g/mL at 25 °C(lit.)
Dampfdichte: 8.2 · 8.2 (vs air)
Brechungsindex: 20 · n20/D 1.457(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1098390 · 1098390
Dielectric constant: 4.73 · 4.7300000000000004
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey: IKPSIIAXIDAQLG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCBr
CAS Datenbank: 693 · 693-67-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · Undecane, 1-bromo- (693-67-4)

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationUndecane, 1-bromo-: 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 Undecane. See Lauryl bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29033919
risk_code: 36/37/38
safety_code: 26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationUndecane, 1-bromo-: ACTIVE

Anwendungen

Verwenden1-Bromoundecane is used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran). It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.