Methyl 3-(2-bromoethoxy)benzoate

HCID 10491483

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Grundinformationen

CAS: 59516-96-0
Standard-SMILES: COC(=O)c1cccc(OCCBr)c1
InChIKey: CGGLKWTURIUCMN-UHFFFAOYSA-N
Summenformel: C10H11BrO3
Durchschnittliche Molmasse: 259,1 g/mol
Monoisotopische Masse: 257,98916

Namen und Bezeichner

Bevorzugter Name: Methyl 3-(2-bromoethoxy)benzoate
IUPAC: methyl 3-(2-bromoethoxy)benzoate
Englischer Name: METHYL 3-(2-BROMOETHOXY)BENZENECARBOXYLATE
Summenformel: C10H11BrO3
Molmasse: 259.1

Namen und Synonyme

Methyl 3-(2-bromoethoxy)benzoate59516-96-0DTXSID00440826RefChem:354631DTXCID60391648676-637-9Methyl 3-(2-bromoethoxy)benzenecarboxylateMFCD062040413-(2-bromo-ethoxy)-benzoic acid methyl esterSCHEMBL1606555CGGLKWTURIUCMN-UHFFFAOYSA-Nmethyl 3-(2-bromoethoxy)-benzoate

Weitere Namen anzeigen

RARECHEM AL BF 1113Methyl 3-(2-broMoethoxy)benzoate, 97+%Benzoic acid,3-(2-bromoethoxy)-, methyl ester

JCA51696methyl 3-(2-bromoethyloxy)benzoateSBB102130AKOS005072777GA-08401-Bromo-2-(3'-carbomethoxyphenoxy)ethaneCS-0251555EN300-55183

Datenbank-Bezeichner

CAS: 59516-96-0
PubChem CID: 10491483
DTXSID: DTXSID00440826
EC Number: 676-637-9

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: 184

Physikochemische Eigenschaften

Siedepunkt: 110 · 110/0.038mm
Dichte: 1.431 · 1.431±0.06 g/cm3(Predicted)
CAS Datenbank: 59516 · 59516-96-0

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 (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.