Methyl 4-(2-bromoethoxy)benzoate

HCID 1898264CAS 56850-91-0

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(OCCBr)cc1
InChIKey: RVBJPYYTGUCVFR-UHFFFAOYSA-N
Summenformel: C10H11BrO3
Durchschnittliche Molmasse: 259,1 g/mol
Monoisotopische Masse: 257,98916

Namen und Bezeichner

Bevorzugter Name: Methyl 4-(2-bromoethoxy)benzoate
IUPAC: methyl 4-(2-bromoethoxy)benzoate
Englischer Name: Methyl 4-(2-bromoethoxy)benzenecarboxylate
Summenformel: C10H11BrO3
Molmasse: 259.1

Namen und Synonyme

methyl 4-(2-bromoethoxy)benzoate56850-91-0DTXSID40365504RefChem:355338DTXCID70316544Methyl 4-(2-bromoethoxy)benzenecarboxylateMFCD01877551Benzoic acid,4-(2-bromoethoxy)-, methyl esterSCHEMBL63216RVBJPYYTGUCVFR-UHFFFAOYSA-Nmethyl 4-(2-bromoethoxy)-benzoateGCA85091

Weitere Namen anzeigen

SBB102131STL326170AKOS005072755CS-W018361GA-08082-(4-methoxycarbonylphenoxy)ethyl bromideSY337246Methyl 4-(2-broMoethoxy)benzoate, 97+%

Datenbank-Bezeichner

CAS: 56850-91-0
PubChem CID: 1898264
DTXSID: DTXSID40365504
EC Number: 676-604-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-69
Siedepunkt: 333.4 · 333.4±22.0 °C(Predicted)
Dichte: 1.431 · 1.431±0.06 g/cm3(Predicted)
Aggregatzustand: Solid

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 5 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.