Ethyl 2-(4-nitrophenoxy)acetate

HCID 308938

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Basic information

CAS: 19076-89-2
Standard SMILES: CCOC(=O)COc1ccc([N+](=O)[O-])cc1
InChIKey: DYHFNINPHJQASC-UHFFFAOYSA-N
Molecular formula: C10H11NO5
Average molar mass: 225.2 g/mol
Monoisotopic mass: 225.06372245

Names & identifiers

Preferred name: Ethyl 2-(4-nitrophenoxy)acetate
IUPAC: ethyl 2-(4-nitrophenoxy)acetate
English name: (4-Nitrophenoxy) acetic acid ethyl ester
Molecular formula: C10H11NO5
Molecular weight: 225.2

Names & synonyms

ethyl 2-(4-nitrophenoxy)acetate19076-89-2MFCD00024673Acetic acid, 2-(4-nitrophenoxy)-, ethyl esterethyl (4-nitrophenoxy)acetate(4-Nitro-phenoxy)-acetic acid ethyl ester(4-NITROPHENOXY) ACETIC ACID ETHYL ESTERETHYL 4-NITROPHENOXYACETATENSC211067Acetic acid, (4-nitrophenoxy)-, ethyl esterethyl(4-nitrophenoxy)acetateOprea1_542806

Show more names

MLS000564015SCHEMBL656776ethyl2-(4-nitrophenoxy)acetateCHEMBL1529587DTXSID90309079DYHFNINPHJQASC-UHFFFAOYSA-Nethyl 2-(4-nitrophenoxyl)acetateHMS2592I17

Database identifiers

CAS: 19076-89-2
PubChem CID: 308938
DTXSID: DTXSID90309079
ChEMBL: CHEMBL1529587

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 242

Physicochemical properties

Melting point: 78 · 78-80°
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HazardClass: IRRITANT