CAS 19099-54-8 o-Iodocumene (HCID 87931)

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Grundinformationen

CAS: 19099-54-8
Standard-SMILES: CC(C)c1ccccc1I
InChIKey: SORQIYFSJAWBNQ-UHFFFAOYSA-N
Summenformel: C9H11I
Durchschnittliche Molmasse: 246,09 g/mol
Monoisotopische Masse: 245,99055

Namen und Bezeichner

Bevorzugter Name: o-Iodocumene
IUPAC: 1-iodo-2-propan-2-ylbenzene
Lokaler Name: o-Iodcumol
Englischer Name: 2-IODOISOPROPYLBENZENE
Summenformel: C9H11I
Molmasse: 246.09

Namen und Synonyme

19099-54-81-iodo-2-isopropylbenzeneo-IodocumeneEINECS 242-819-8DTXSID20172612RefChem:855271DTXCID7095103242-819-82-Iodoisopropylbenzene2-Iodocumene1-iodo-2-propan-2-ylbenzeneBenzene, 1-iodo-2-(1-methylethyl)-

Weitere Namen anzeigen

Iodocumene2-Iodocumene>2-isopropyliodobenzene2-Isopropylphenyl iodide2-Iodo-1-isopropylbenzene1-Isopropyl-2-iodobenzene

MFCD000137041-iodo-2-(propan-2-yl)benzeneDR9WQW9E5N1-Iodo-2-isopropyl-benzene1-Iodo-2-(1-methylethyl)benzeneo-i-propyliodobenzene2-isopropyliodobenzene2-iodoisopropyl benzene

Datenbank-Bezeichner

CAS: 19099-54-8
PubChem CID: 87931
DTXSID: DTXSID20172612
UNII: DR9WQW9E5N
EC Number: 242-819-8
Nikkaji: J224.857C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 98

Physikochemische Eigenschaften

Siedepunkt: 89 °C · 89 °C
Dichte: 1.54 · 1.54
Brechungsindex: 1.5801 · 1.5801
Flammpunkt: 110 °C/20mm · 110°C/20mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Clear Pale Red to Red
BRN: 2351872 · 2351872
CAS Datenbank: 19099 · 19099-54-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (16.7%): 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 (33.3%): 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 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.