1-Iodo-3,5-dimethylbenzene (HCID 140924)

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 Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
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
InChIKey: ZLMKEENUYIUKKC-UHFFFAOYSA-N
SMILES: Cc1cc(C)cc(I)c1
CAS Datenbank: 22445 · 22445-41-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-iodo-3,5-dimethyl-(22445-41-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

3,5-Dimethylbenzaldehyde 3,3',5,5'-TETRAMETHYLBIPHENYL METHYL 3,5-DIMETHYLBENZOATE 3,5-Dimethylbenzonitril 1-ETHYNYL-3,5-DIMETHYL-BENZENE 2-Iodo-1,3-dimethylbenzene

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

常州思丹德化工有限公司0519-85607885 13776800733 · [email protected]

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen

HRID 101813als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121558als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123777als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134806als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 143007als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164239als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167363als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167392als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

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