4-Chloro-2-ethoxybenzoic acid

HCID 18954604

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1195264-76-6
Standard-SMILES: CCOc1cc(Cl)ccc1C(=O)O
InChIKey: JYELDIDGIRZNPI-UHFFFAOYSA-N
Summenformel: C9H9ClO3
Durchschnittliche Molmasse: 200,62 g/mol
Monoisotopische Masse: 200,0240218

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2-ethoxybenzoic acid
IUPAC: 4-chloro-2-ethoxybenzoic acid
Englischer Name: 4-Chloro-2-ethoxybenzoic Acid
Summenformel: C9H9ClO3
Molmasse: 200.62

Namen und Synonyme

4-chloro-2-ethoxybenzoic acid1195264-76-6RefChem:521025869-078-94-chloro-2-ethoxy-benzoic acid4-chloro-2-ethoxybenzoicacidSCHEMBL1546386JYELDIDGIRZNPI-UHFFFAOYSA-NVXB26476MFCD14646682AKOS009076682CS-0232703

Weitere Namen anzeigen

Benzoic acid, 4-chloro-2-ethoxy-

E90932EN300-128214F651053Z149256332

Datenbank-Bezeichner

CAS: 1195264-76-6
PubChem CID: 18954604
EC Number: 869-078-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
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

Siedepunkt: 326.1 · 326.1±22.0 °C(Predicted)
Dichte: 1.299 · 1.299±0.06 g/cm3(Predicted)
pka: 3.98 · 3.98±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.