1,6-Diiodhexan

1,6-Diiodohexane

HCID 12373CAS 629-09-4

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Grundinformationen

Standard-SMILES: ICCCCCCI
InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N
Summenformel: C6H12I2
Durchschnittliche Molmasse: 337,97 g/mol
Monoisotopische Masse: 337,90284638

Namen und Bezeichner

Bevorzugter Name: 1,6-Diiodohexane
IUPAC: 1,6-diiodohexane
Lokaler Name: 1,6-Diiodhexan
Englischer Name: 1,6-Diiodohexane
Summenformel: C6H12I2
Molmasse: 337.97

Namen und Synonyme

1,6-DiiodohexaneHEXANE, 1,6-DIIODO-K4QL8HA5VYDTXSID9060865QLIMAARBRDAYGQ-UHFFFAOYSA-4-01-00-00356 (Beilstein Handbook Reference).ALPHA.,.OMEGA.-DIIODOHEXANERefChem:73598ALPHA,OMEGA-DIIODOHEXANEDTXCID4043567211-073-5InChI=1/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

Weitere Namen anzeigen

1,6-Iodohexane1,6-diiohexane1,6-diiodo-hexan1,6-Diiodihexane1,6-diiodohexanes1,6-diodiodhexaneHexane,1,6-diiodo-HEXAMETHYLENEIODIDE1,6-Diiodohexane,99+%

QLIMAARBRDAYGQ-UHFFFAOYSA-N629-09-4Hexamethylene diiodide1,6-diiodo hexaneEINECS 211-073-5MFCD00001103BRN 1280128C6H12I2

Datenbank-Bezeichner

CAS: 629-09-4
PubChem CID: 12373
DTXSID: DTXSID9060865
UNII: K4QL8HA5VY
EC Number: 211-073-5
Nikkaji: J135.082J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 31,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: 9 · 9-10 °C (lit.)
Siedepunkt: 141 · 141-142 °C/10 mmHg (lit.)
Dichte: 2.05 g/mL · 2.05 g/mL at 25 °C (lit.)
Brechungsindex: 1.5852 · 1.5852-1.5872
Flammpunkt: 110 °C · >110°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: liquid
Farbe: clear pale yellow
Wasserlöslichkeit: Immiscible with water.
BRN: 1280128 · 1280128
InChI: InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N
SMILES: C(I)CCCCCI
CAS Datenbank: 629 · 629-09-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · Hexane, 1,6-diiodo- (629-09-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29033990
RTECS-Nr.: MO1700000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39-26
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationHexane, 1,6-diiodo-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,6-Diiodohexane is used as a precursor in the preparation of cationic tissue plasminogen activator (t-PA)-containing polyurethane surfaces. It is also used as a solvent additive and in potential power conversion efficiency of polymer or fullerene bulk heterojunction solar cells. Further, it is employed in the preparation of 3-(iodohexyl)-1-(3-(triethoxysilyl)propylcarbamoyl)-1H-benzo[d]imidazol-3-ium iodide and 2,4-dihydroxybenzophenone.