1-Iodo-3,5-dimethylbenzene
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Grundinformationen
- CAS
22445-41-6- Standard-SMILES
Cc1cc(C)cc(I)c1- InChIKey
ZLMKEENUYIUKKC-UHFFFAOYSA-N- Summenformel
- C8H9I
- Durchschnittliche Molmasse
- 232,06 g/mol
- Monoisotopische Masse
- 231,9749
Namen und Bezeichner
- Bevorzugter Name
- 1-Iodo-3,5-dimethylbenzene
- IUPAC
- 1-iodo-3,5-dimethylbenzene
- Englischer Name
- 1-Iodo-3,5-dimethylbenzene
- Summenformel
- C8H9I
- Molmasse
- 232.06
Namen und Synonyme
1-Iodo-3,5-dimethylbenzeneRefChem:56249222445-41-65-Iodo-m-xylene1,3-dimethyl-5-iodobenzene3,5-DimethyliodobenzeneBenzene, 1-iodo-3,5-dimethyl-MFCD000606591-iodo-3,5-dimethyl-benzene1-Iodo-3,5-dimethylbenzene #STR09819AKOS005145655
Weitere Namen anzeigen
5-Iodo-m-xylene,99%1-Iodo-3,5-dimethyL3,5-Dinethyliodobenzene3,5-dimethylphenyl iodide5-Iodo-M-xylene, 99% 25ML3,5-diMethyl-1-iodobenzene
CS-W014173I0548EN300-349358AMY6055-Iodo-meta-xyleneFT-0620516A816213SCHEMBL79108
Datenbank-Bezeichner
- CAS
22445-41-6- PubChem CID
- 140924
- DTXSID
DTXSID90176985- EC Number
- 629-121-2
- Nikkaji
- J903.458G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 80
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index1231.2
Physikochemische Eigenschaften
- Schmelzpunkt
- -2.9 °C · -2.9°C (estimate)
- Siedepunkt
- 92 · 92-94 °C3 mm Hg(lit.)
- Dichte
- 1.608 g/mL · 1.608 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.594(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Sparingly soluble (0.014 g/L) (25°C), Calc.
- Aggregatzustand
- Liquid
- Wichte
- 1.608 · 1.608
- Farbe
- Clear light yellow
- BRN
- 2039353 · 2039353
- InChI
- 1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
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 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 10 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 CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29039990
- risk_code
- 36/37/38
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-Iodo-3,5-dimethylbenzene (5-iodo-m-xylene) is suitable for use in the synthesis of N-(3,5-xylyl)-N-ethyl aniline, an aryl amine, It is also used in the following studies; α-Arylation of ketones, Copper-catalyzed N-arylation of imidazoles, Cyanation of 5-iodo-m-xylene to form 3,5-dimethylbenzonitrile, synthesis of 1,3-Dimethyl-5-phenoxybenzene by nano-CuFe2O4 catalyzed C-O cross-coupling with phenol, CuBr-catalyzed amination of 1-iodo-3,5-dimethylbenzene to form N-Allyl-3,5-dimethylbenzenamine, copper-catalyzed C-S bond-formation between 5-iodo-m-xylene and thiophenol. It is also employed as a starting material in the synthesis of biphenyl-3,3,5,5-tetracarboxylic acid, radical bromination of 5-iodo-m-xylene by N-bromosuccinimide to form 1,3-bis(bromomethyl)-5-iodobenzene.
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