1-Iodo-2,4-dimethoxybenzene

HCID 140694CAS 20469-63-0

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Grundinformationen

Standard-SMILES: COc1ccc(I)c(OC)c1
InChIKey: ZDUYJCKEORTAQE-UHFFFAOYSA-N
Summenformel: C8H9IO2
Durchschnittliche Molmasse: 264,06 g/mol
Monoisotopische Masse: 263,96473

Namen und Bezeichner

Bevorzugter Name: 1-Iodo-2,4-dimethoxybenzene
IUPAC: 1-iodo-2,4-dimethoxybenzene
Englischer Name: 2,4-Dimethoxyiodobenzene
Summenformel: C8H9IO2
Molmasse: 264.06

Namen und Synonyme

20469-63-01-Iodo-2,4-dimethoxybenzeneRefChem:433232606-562-92,4-DimethoxyiodobenzeneBenzene, 1-iodo-2,4-dimethoxy-1,3-Dimethoxy-4-iodobenzene1-Iodo-2,4-dimethoxy-benzeneMFCD000592682,4-dimethoxy-1-iodobenzeneCBDivE_0030601-Iodo-2,4-dimethoxybenzene #

Weitere Namen anzeigen

Dimethoxyiodobenzene3-Methoxy-4-iodoanisole2,4-Dimethoxyphenyl iodide4-IODO-1,3-DIMETHOXYBENZENE2,4-Dimethoxyiodobenzene >Benzene, 1-iodo-2,4-dimethoxy-

AKOS015851684PS-6041SY050269NSC897744-iodo-3-methoxy anisole1-IoCambridge id 5107587NCIOpen2_006201

Datenbank-Bezeichner

CAS: 20469-63-0
PubChem CID: 140694
DTXSID: DTXSID50174442
EC Number: 606-562-9
Nikkaji: J150.891A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Schmelzpunkt: 37 · 37-41 °C(lit.)
Siedepunkt: 135 °C · 135°C 14mm
Dichte: 1.655 · 1.655±0.06 g/cm3(Predicted)
Brechungsindex: 1.61 · 1.6100
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 1945135 · 1945135
InChI: 1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey: ZDUYJCKEORTAQE-UHFFFAOYSA-N
SMILES: COc1ccc(I)c(OC)c1
CAS Datenbank: 20469 · 20469-63-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,4-Dimethoxyiodobenzene(20469-63-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): 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 6 reports by companies from 3 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.