Benzoic acid, 2-(carboxymethoxy)-

HCID 69461CAS 635-53-0

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Grundinformationen

Standard-SMILES: O=C(O)COc1ccccc1C(=O)O
InChIKey: JLLXSRLEXBECPY-UHFFFAOYSA-N
Summenformel: C9H8O5
Durchschnittliche Molmasse: 196,16 g/mol
Monoisotopische Masse: 196,03717335

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 2-(carboxymethoxy)-
IUPAC: 2-(carboxymethoxy)benzoic acid
Englischer Name: 2-(Carboxymethoxy)benzoic acid
Summenformel: C9H8O5
Molmasse: 196.16

Namen und Synonyme

2-(Carboxymethoxy)benzoic acid635-53-0Benzoic acid, 2-(carboxymethoxy)-(o-Carboxyphenoxy)acetic acido-(Carboxymethoxy)benzoic acidAcetic acid, (o-carboxyphenoxy)-Acetic acid, (2-carboxyphenoxy)-o-Anisic acid, alpha-carboxy-AI3-16490NSC 1335BRN 2109705DTXSID3060904

Weitere Namen anzeigen

AKOS AU36-M510RARECHEM AL BE 0027LABOTEST-BB LT00847879salicylic-O-acetic acid2-Carboxyphenoxyacetic acid2-(carboxymethoxy)-benzoicacio-carboxylmethoxy benzoic acid

4-10-00-00140 (Beilstein Handbook Reference)RefChem:118326DTXCID8043941o-Anisic acid, alpha-carboxy-(8CI)Salicylacetic acidMFCD0002175492GVS42KUYNSC1335

Datenbank-Bezeichner

CAS: 635-53-0
PubChem CID: 69461
DTXSID: DTXSID3060904
UNII: 92GVS42KUY
EC Number: 676-810-9
Nikkaji: J135.616J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 83,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 188 · 188-190°C
Siedepunkt: 411.9 · 411.9±20.0 °C(Predicted)
Dichte: 1.43 · 1.430±0.06 g/cm3(Predicted)
pka: 3.04 · 3.04±0.10(Predicted)
BRN: 2109705 · 2109705
CAS Datenbank: 635 · 635-53-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzoic acid, 2-(carboxymethoxy)- (635-53-0)

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 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.