5-Bromo-2-methoxyphenylacetic acid

HCID 555306CAS 7017-48-3

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Grundinformationen

Standard-SMILES: COc1ccc(Br)cc1CC(=O)O
InChIKey: BBHBUJQFVCMESB-UHFFFAOYSA-N
Summenformel: C9H9BrO3
Durchschnittliche Molmasse: 245,07 g/mol
Monoisotopische Masse: 243,97351

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methoxyphenylacetic acid
IUPAC: 2-(5-bromo-2-methoxyphenyl)acetic acid
Englischer Name: 5-BROMO-2-METHOXYPHENYLACETIC ACID
Summenformel: C9H9BrO3
Molmasse: 245.07

Namen und Synonyme

5-Bromo-2-methoxyphenylacetic acid7017-48-3RefChem:533308675-665-92-(5-bromo-2-methoxyphenyl)acetic acid(5-bromo-2-methoxyphenyl)acetic acidMFCD00016825Benzeneacetic acid, 5-bromo-2-methoxy-2-methoxy-5-bromophenylacetic acid(5-Bromo-2-methoxy-phenyl)-acetic acidCambridge id 6128138Oprea1_572105

Weitere Namen anzeigen

RARECHEM AL BO 03372-(5-bromo-2-methoxyphenyl)ethanolJR-13632, 2-(5-Bromo-2-methoxyphenyl)acetic acid, 97%

SCHEMBL1543685-Bromo-2-MethoxyphenylaceticAciSTR054105-Bromo-2-methoxyphenyl acetic acidCL8799SBB017828ZH0012AKOS005144419

Datenbank-Bezeichner

CAS: 7017-48-3
PubChem CID: 555306
EC Number: 675-665-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-134°C
Siedepunkt: 353.3 · 353.3±27.0 °C(Predicted)
Dichte: 1.56 · 1.560±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.97 · 3.97±0.10(Predicted)
Aggregatzustand: solid
Farbe: Beige
CAS Datenbank: 7017 · 7017-48-3(CAS DataBase Reference)

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 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.