CAS 148490-97-5 Benzoic acid, 4-iodo-2-methoxy-, methyl ester (HCID 22619468)

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Grundinformationen

CAS: 148490-97-5
Standard-SMILES: COC(=O)c1ccc(I)cc1OC
InChIKey: MCNOTXROWOGSGU-UHFFFAOYSA-N
Summenformel: C9H9IO3
Durchschnittliche Molmasse: 292,07 g/mol
Monoisotopische Masse: 291,95964

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 4-iodo-2-methoxy-, methyl ester
IUPAC: methyl 4-iodo-2-methoxybenzoate
Englischer Name: METHYL 4-IODO-2-METHOXYBENZOATE
Summenformel: C9H9IO3
Molmasse: 292.07

Namen und Synonyme

Benzoic acid, 4-iodo-2-methoxy-, methyl esterRefChem:566020604-637-0Methyl 4-iodo-2-methoxybenzoate148490-97-5MFCD067978654-Iodo-2-methoxybenzoic acid methyl esterSCHEMBL1402749methyl-4-iodo-2-methoxybenzoateDTXSID30626999MCNOTXROWOGSGU-UHFFFAOYSA-Nmethyl 4-iodo-2-methoxy-benzoate

Weitere Namen anzeigen

Methyl 4-iodo-o-anisate, 5-Iodo-2-(methoxycarbonyl)anisole

SBB064630AKOS005147320FI70388PS-5224Methyl 4-iodo-2-Methoxybenzoate, 98+%SY239360CS-0127798F613537

Datenbank-Bezeichner

CAS: 148490-97-5
PubChem CID: 22619468
DTXSID: DTXSID30626999
EC Number: 604-637-0
Nikkaji: J3.265.132A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46℃
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Clear, colourless
Wasserlöslichkeit: Insoluble in water.
CAS Datenbank: 148490 · 148490-97-5

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 (100%): 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 4 reports by companies from 1 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.