4-Iodanisol

4-Iodoanisole

HCID 69676CAS 696-62-8

Grundinformationen

Standard-SMILES
COc1ccc(I)cc1
InChIKey
SYSZENVIJHPFNL-UHFFFAOYSA-N
Summenformel
C7H7IO
Durchschnittliche Molmasse
234,03 g/mol
Monoisotopische Masse
233,95416284

Überblick

(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.

Namen und Bezeichner

Bevorzugter Name
4-Iodoanisole
IUPAC
1-iodo-4-methoxybenzene
Lokaler Name
4-Iodanisol
Englischer Name
4-Iodoanisole
Summenformel
C7H7IO
Molmasse
234.03

Namen und Synonyme

4-Iodoanisole696-62-81-Iodo-4-methoxybenzenep-IodoanisoleBenzene, 1-iodo-4-methoxy-IsoformNSC-60727ZN7Y5PP2KWDTXSID7061015RefChem:524236DTXCID8046533211-798-7
Weitere Namen anzeigen
p-iodoanisol4-IODOANISOL4-IODANISOLE4-lodoanisole1-iodo-4-methoxy-benzenCREM-α
4-Methoxyiodobenzenep-MethoxyiodobenzeneAnisole, p-iodo-4-Iodomethoxybenzenep-Iodophenyl methyl ether1-iodo-4-methoxy-BenzeneMFCD00001056Izoform

Datenbank-Bezeichner

CAS
696-62-8
PubChem CID
69676
DTXSID
DTXSID7061015
ChEBI
CHEBI:174192
UNII
ZN7Y5PP2KW
EC Number
211-798-7
Nikkaji
J93.739H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,9
Polarare Oberfläche (TPSA)
9,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
50 · 50-53 °C(lit.)
Siedepunkt
237 °C726 · 237 °C726 mm Hg(lit.)
Dichte
1.7904 · 1.7904 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Soluble in ethanol, ether, chloroform.

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

Gefahrenhinweise

Regulatory InformationBenzene, 1-iodo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
hs_code
29093090
risk_code
36/37/38
hazard_code
Xi,Xn

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-iodo-4-methoxy-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-Iodoanisole is 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. Iodine derivatives are also used as organic building blocks, analytical reagents.

Darstellung · 1 Eintrag

synthetische4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.

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