3-(4-Nitrophenoxy)propionic acid

HCID 351535

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Grundinformationen

CAS: 10572-16-4
Standard-SMILES: O=C(O)CCOc1ccc([N+](=O)[O-])cc1
InChIKey: RRQDYEMTBDVXQY-UHFFFAOYSA-N
Summenformel: C9H9NO5
Durchschnittliche Molmasse: 211,17 g/mol
Monoisotopische Masse: 211,04807239

Namen und Bezeichner

Bevorzugter Name: 3-(4-Nitrophenoxy)propionic acid
IUPAC: 3-(4-nitrophenoxy)propanoic acid
Englischer Name: 3-(4-Nitrophenyl)propanoic acid
Summenformel: C9H9NO5
Molmasse: 211.17

Namen und Synonyme

3-(4-Nitrophenoxy)propionic acidRefChem:493362831-987-310572-16-43-(4-Nitrophenoxy)propanoic acidMFCD000437483-[p-Nitrophenoxy]propionic acid3-(p-nitrophenoxy)propionic acid3-(4-Nitrophenoxy)-propanoic acidSCHEMBL3032142CHEMBL45406963-(4-Nitrophenoxy)propanoicacid

Weitere Namen anzeigen

3-(4-nitrophenoxy)propanoate3-(4-NITROPHENYL)PROPIONIC ACIDPropanoic acid, 3-(4-nitrophenoxy)-3-(4-NITROPHENOXY)PROPIONIC ACID ---POWDER PURE---3-(4-NITROPHENOXY)PROPIONIC ACID ---POWDER, 98% PURE---

TIMTEC-BB SBB007969DTXSID709096923-[p-nitrophenoxy] propionic acid3-(4-Nitrophenyloxy)propionic acid3-(P-NITROPHENOXY)PROPIONICKAA572163-(4-nitro-phenoxy)-propionic acid3-(4-Nitrophenoxy)propanoic acid #

Datenbank-Bezeichner

CAS: 10572-16-4
PubChem CID: 351535
DTXSID: DTXSID70909692
ChEMBL: CHEMBL4540696
EC Number: 831-987-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 92,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-119 °C
Siedepunkt: 383.6 · 383.6±17.0 °C(Predicted)
Dichte: 1.38 · 1.380±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4 · 4.00±0.10(Predicted)
CAS Datenbank: 10572 · 10572-16-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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 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.