1-Iodbutan

Butyl iodide

HCID 10962CAS 25267-27-0
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Grundinformationen

Standard-SMILES
CCCCI
InChIKey
KMGBZBJJOKUPIA-UHFFFAOYSA-N
Summenformel
C4H9I
Durchschnittliche Molmasse
184,02 g/mol
Monoisotopische Masse
183,97489829

Überblick

butyl iodide has been reported in Ascophyllum nodosum, Mastocarpus stellatus, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name
Butyl iodide
IUPAC
1-iodobutane
Lokaler Name
1-Iodbutan
Englischer Name
1-Iodobutane
Summenformel
C4H9I
Molmasse
184.02

Namen und Synonyme

1-IodobutaneButyl iodide542-69-8N-BUTYL IODIDEButane, 1-iodo-607A6CC46RNSC-8420DTXSID70862157RefChem:829368DTXCID20810961208-824-41-iodo-butane
Weitere Namen anzeigen
Iodobutane1-LODOBUTANEn-C4H9I1-iodo-butan1-Butyljodidn-Butyliodidn-Iodobutane
Butane, iodo-1-JodbutanMFCD0000109825267-27-01-Jodbutan [Czech]1-BUTYLIODIDENSC 8420EINECS 208-824-4

Datenbank-Bezeichner

CAS
25267-27-0、542-69-8
PubChem CID
10962
DTXSID
DTXSID70862157
UNII
607A6CC46R
EC Number
208-824-4
Nikkaji
J2.644A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP3.08
Vapor Pressure13.9 [mmHg]
Physical DescriptionLiquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
103 °C · −103 °C(lit.)
Siedepunkt
130 · 130-131 °C(lit.)
Dichte
1.617 g/mL · 1.617 g/mL at 25 °C(lit.)
Dampfdichte
5 · ~5 (vs air)
Dampfdruck
18.5 hPa · 18.5 hPa (25 °C)
Brechungsindex
20 · n20/D 1.498(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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, P316, 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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butane, 1-iodo-

1-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by inhalation; [Alfa Aesar MSDS] See 1-Bromobutane and n-Butyl chloride.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) = 6,100 mg/m3/4hr

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29033080
RTECS-Nr.
EK4400000

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites1-iodobutane has known human metabolites that include butyl-glutathione.

Verwendung und Herstellung

General Manufacturing InformationButane, 1-iodo-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.

Darstellung

synthetische1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.

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