1-Bromo-4-iodo-2-methoxybenzene

HCID 12187202

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Grundinformationen

CAS: 755027-18-0
Standard-SMILES: COc1cc(I)ccc1Br
InChIKey: PIPWNWZBTWYPJB-UHFFFAOYSA-N
Summenformel: C7H6BrIO
Durchschnittliche Molmasse: 312,93 g/mol
Monoisotopische Masse: 311,86467

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-iodo-2-methoxybenzene
IUPAC: 1-bromo-4-iodo-2-methoxybenzene
Englischer Name: 2-Bromo-5-iodoanisole
Summenformel: C7H6BrIO
Molmasse: 312.93

Namen und Synonyme

1-bromo-4-iodo-2-methoxybenzene755027-18-0RefChem:430649616-227-92-Bromo-5-iodoanisoleBenzene,1-bromo-4-iodo-2-methoxy-MFCD07780651BENZENE, 1-BROMO-4-IODO-2-METHOXY-1-Bromo-4-iodo-2-methoxy-benzene4-bromo-3-methoxyiodobenzene2-Bromo-5-iodophenyl methyl etherSCHEMBL629513

Weitere Namen anzeigen

2-Bromo-5-iodoanisole 98%2-bromo-5-iodophenyl ether2-iodine-5-bromophenyl ether1-Bromo-4-iodo-2-methoxybenzene, 2-Bromo-5-iodophenyl methyl ether

bromo-4-iodo-2-methoxybenzeneSCHEMBL29041372SCHEMBL29426958DTXSID60479672PIPWNWZBTWYPJB-UHFFFAOYSA-NAKOS015835289FB64625AC-28587

Datenbank-Bezeichner

CAS: 755027-18-0
PubChem CID: 12187202
DTXSID: DTXSID60479672
EC Number: 616-227-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 293.7 · 293.7±20.0 °C(Predicted)
Dichte: 2.062 · 2.062
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Aggregatzustand: crystalline needles
Farbe: Faint yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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 (100%): 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 2 reports by companies from 2 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.