1,4-Diiodbenzol

p-Diiodobenzene

HCID 12208CAS 624-38-4

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Grundinformationen

Standard-SMILES: Ic1ccc(I)cc1
InChIKey: LFMWZTSOMGDDJU-UHFFFAOYSA-N
Summenformel: C6H4I2
Durchschnittliche Molmasse: 329,9 g/mol
Monoisotopische Masse: 329,84024613

Namen und Bezeichner

Bevorzugter Name: p-Diiodobenzene
IUPAC: 1,4-diiodobenzene
Lokaler Name: 1,4-Diiodbenzol
Englischer Name: 1,4-Diiodobenzene
Summenformel: C6H4I2
Molmasse: 329.9

Namen und Synonyme

1,4-DIIODOBENZENE624-38-4p-DiiodobenzeneBenzene, 1,4-diiodo-p-Benzene diiodideBenzene, p-diiodo-I9XCF83VAV4-IODOPHENYL IODIDENSC 6297NSC-6297P-PHENYLENE DIIODIDEEINECS 210-842-2

Weitere Namen anzeigen

diiodobenzene1,4-Diiodobenze4-DIIODOBENZENE1,4-Diiobenzene1,4-diiodbenzene1,4-Diodobenzene1,4-Diidobenzene1,4-diiodo-benzen

DTXSID2022092AI3-08885pDiiodobenzenepBenzene diiodideBenzene, pdiiodoBenzene, 1,4diiodoRefChem:858055Benzene, pdiiodo (8CI)

Datenbank-Bezeichner

CAS: 624-38-4
PubChem CID: 12208
DTXSID: DTXSID2022092
ChEMBL: CHEMBL454178
UNII: I9XCF83VAV
EC Number: 210-842-2
Nikkaji: J6.849G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 54,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBand gap energy

Vapor Pressure0.00593 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 °C (lit.)
Siedepunkt: 285 °C · 285 °C (lit.)
Dichte: 2.35 · 2.350
Brechungsindex: 1.6212 · 1.6212
Flammpunkt: 285 °C · 285°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: White to beige
Wasserlöslichkeit: Soluble in ether and ethanol. Insoluble in water.
BRN: 1904546 · 1904546
Dielectric constant: 2.88 · 2.8799999999999999
InChI: 1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey: LFMWZTSOMGDDJU-UHFFFAOYSA-N
SMILES: Ic1ccc(I)cc1
CAS Datenbank: 624 · 624-38-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1,4-diiodo-(624-38-4)
EPA chemische Informationen: 1 · Benzene, 1,4-diiodo- (624-38-4)

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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See p-Dichlorobenzene.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,4-diiodo-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,4-Diiodobenzene is used in Suzuki reaction. It is used as a precursor in the preparation of martinellic acid and 1,4-bis(p-R-phenylethynyl)benzenes. Further, it is employed in the preparation of 1,4-diiodo-2,5-didodecylbenzene , which is a starting reagent for the synthesis of oligo(1,4-phenylene ethynylene). It is also used in human and animal nutrition products including antiseptics and disinfectants. In addition to this, it used in polarizing films for liquid crystal display chemicals.