2'-Iodoacetophenone
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Grundinformationen
- CAS
2142-70-3- Standard-SMILES
CC(=O)c1ccccc1I- InChIKey
XDXCBCXNCQGZPG-UHFFFAOYSA-N- Summenformel
- C8H7IO
- Durchschnittliche Molmasse
- 246,04 g/mol
- Monoisotopische Masse
- 245,95416
Namen und Bezeichner
- Bevorzugter Name
- 2'-Iodoacetophenone
- IUPAC
- 1-(2-iodophenyl)ethanone
- Englischer Name
- 2'-Iodoacetophenone
- Summenformel
- C8H7IO
- Molmasse
- 246.05
Namen und Synonyme
2'-Iodoacetophenone2142-70-3DTXSID30286592RefChem:439690DTXCID70237740678-571-61-(2-Iodophenyl)ethanoneo-Iodoacetophenone1-(2-iodophenyl)ethan-1-oneMFCD00094998Acetophenone, o-iodo-Acetophenone, 2'-iodo-
Weitere Namen anzeigen
2-IODOACETOPHENONE2-iodophenone2'-Iodoacetophenone>2''-IODOACETOPHENONE 97%2'-IODOACETOPHENONE, 99+%2'-Iodoacetophenone, 98+%
Ethanone, 1-(2-iodophenyl)-1-acetyl-2-iodobenzene2 inverted exclamation mark -IodoacetophenoneEthanone, 1-(iodophenyl)-1-(2-Iodo-phenyl)-ethanone2-acetyliodobenzeneNSC466252 -Iodoacetophenone
Datenbank-Bezeichner
- CAS
2142-70-3- PubChem CID
- 240431
- DTXSID
DTXSID30286592- EC Number
- 678-571-6
- Nikkaji
- J456.470G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 133
Physikochemische Eigenschaften
- Schmelzpunkt
- 71 · 71-73 °C
- Siedepunkt
- 139 · 139-140°C 12mm
- Dichte
- 1.72 g/mL · 1.72 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.618(lit.)
- Flammpunkt
- 218 °F · 218 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- Wichte
- 1.72 · 1.720
- Farbe
- Clear yellow
- BRN
- 2325078 · 2325078
- InChI
- InChI=1S/C8H7IO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChIKey
- XDXCBCXNCQGZPG-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC=C1I)C
- CAS Datenbank
- 2142 · 2142-70-3(CAS DataBase Reference)
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
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (25%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29147000
- risk_code
- 36/38
- hazard_code
- C
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 12 - Non Combustible Liquids
Chemie und Industrie
Anwendungen
Verwenden2′-Iodoacetophenone (2-Iodoacetophenone) may be used in the synthesis of:indene derivativesdi-(o-acetylphenyl)acetyleneindenol derivative
Darstellung
synthetische2'-Iodoacetophenone can be synthesized by diazotization of 2-acetylaniline. To a solution of p-TsOH (22.80 g, 120 mmol) in CH3CN (160 mL) was added an aromatic amine (40 mmol). The resulting amine salt suspension was cooled to 0-5°C. A solution of NaNO2 (5.52 g, 80 mmol) in H2O (12 mL) and KI (16.6 g, 100 mmol) in H2O (12 mL) were added sequentially. The reaction mixture was stirred for 10 minutes, then allowed to warm to ambient temperature and stirred until all the amine was consumed. To the reaction mixture were then added H2O (700 mL), NaHCO3 (1M; until pH=9-10) and Na2S2O3 (2M, 80 mL). The reaction mixture was extracted with EtOAc and purified by column chromatography (hexanes:EtOAc, 9:1 v/v) to give 2'-iodoacetophenone:yellow oil in 94% yield.
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