Grundinformationen
- Standard-SMILES
CC(C)CCI- InChIKey
BUZZUHJODKQYTF-UHFFFAOYSA-N- Summenformel
- C5H11I
- Durchschnittliche Molmasse
- 198,05 g/mol
- Monoisotopische Masse
- 197,99054835
Namen und Bezeichner
- Bevorzugter Name
- 1-Iodo-3-methylbutane
- IUPAC
- 1-iodo-3-methylbutane
- Lokaler Name
- 1-Iod-3-methylbutan
- Englischer Name
- 1-Iodo-3-methylbutane
- Summenformel
- C5H11I
- Molmasse
- 198.05
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
541-28-6- PubChem CID
- 10924
- DTXSID
DTXSID8060246- UNII
- E1E5DU187L
- EC Number
- 208-773-8
- Nikkaji
- J6.392D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 25,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -85.6 °C · -85.6°C (estimate)
- Siedepunkt
- 149 °C · 149 °C(lit.)
- Dichte
- 1.497 g/mL · 1.497 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.492(lit.)
- Flammpunkt
- 115 °F · 115 °F
- storage temp.
- Flammables area
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Wasserlöslichkeit
- Insoluble in water. Soluble in most common organic solvents.
- Merck
- 14 · 14,5120
- BRN
- 1730990 · 1730990
- Dielectric constant
- 5.6 · 5.5999999999999996
- InChI
- 1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
- InChIKey
- BUZZUHJODKQYTF-UHFFFAOYSA-N
- SMILES
- CC(C)CCI
- CAS Datenbank
- 541 · 541-28-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Butane, 1-iodo-3-methyl-(541-28-6)
- EPA chemische Informationen
- 1 · Butane, 1-iodo-3-methyl- (541-28-6)
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, 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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 1-8-9
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29033080
- RTECS-Nr.
- EK4412000
- risk_code
- 10-22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1-Iodo-3-methylbutane can be used for organic synthesis or used as solvents.
Darstellung
synthetischeSynthesis of 1-Iodo-3-methylbutane: Bromo-3-methylbutane (30.2 g, 0.20 mol) was added dropwise to a mixture of NaI (44.97g, 0.30 mol) and acetone (500 mL). The mixture was refluxed overnight. The mixture was filtrated and the filter cake was washed with (2 x 50 mL) acetone. The acetone was evaporated under reduced pressure. 1-Iodo-3-methylbutane was distilled under vacuum to give 13.8g (35 %) (b.p. 25 - 35°C, 15 mmHg).
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