4-Iodanisol
4-Iodoanisole
Grundinformationen
- CAS
696-62-8- 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
- Formalladung
- 0
- Komplexität
- 77
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.
- Aggregatzustand
- Crystalline Powder and Chunks
- Farbe
- Off-white to brown
- BRN
- 1906692 · 1906692
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- safety_code
- 26-36-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzene, 1-iodo-4-methoxy-: ACTIVE
Anwendungen
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
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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