Methyl (4-nitrophenoxy)acetate

HCID 700522

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Basic information

CAS: 19786-48-2
Standard SMILES: COC(=O)COc1ccc([N+](=O)[O-])cc1
InChIKey: ZZVXTAUUUUCLAG-UHFFFAOYSA-N
Molecular formula: C9H9NO5
Average molar mass: 211.17 g/mol
Monoisotopic mass: 211.04807239

Names & identifiers

Preferred name: Methyl (4-nitrophenoxy)acetate
IUPAC: methyl 2-(4-nitrophenoxy)acetate
English name: (4-Nitrophenoxy)acetic acid methyl ester
Molecular formula: C9H9NO5
Molecular weight: 211.17

Names & synonyms

19786-48-2methyl 2-(4-nitrophenoxy)acetatemethyl (4-nitrophenoxy)acetateMethyl 4-nitrophenoxyacetateMFCD01035955Acetic acid, (4-nitrophenoxy)-, methyl esterAcetic acid, 2-(4-nitrophenoxy)-, methyl ester(4-Nitrophenoxy)acetic acid methyl esterMethyl 2-(4-Nitrophenoxy)acetate; Methyl p-Nitrophenoxyacetate; (4-Nitrophenoxy)acetic Acid Methyl Ester; (p-Nitrophenoxy)-acetic Acid Methyl Ester; (4-Nitrophenoxy)-acetic Acid Methyl Ester4-Nitrophenoxyacetic acid methyl esterOprea1_145451methyl 4-nitro-phenoxyacetate

Show more names

SCHEMBL839776Methyl(4-Nitro phenoxy)acetatemethyl2-(4-nitrophenoxy)acetateMethyl (4-Nitro phenoxy)acetateDTXSID00351448ZZVXTAUUUUCLAG-UHFFFAOYSA-NALBB-023839SBB071762

Database identifiers

CAS: 19786-48-2
PubChem CID: 700522
DTXSID: DTXSID00351448
Nikkaji: J47.489D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 99 °C · 99 °C
Boiling point: 337.4 · 337.4±17.0 °C(Predicted)
Density: 1.305 · 1.305±0.06 g/cm3(Predicted)
solubility: soluble in Dichloromethane
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesMethyl 4-Nitrophenoxyacetate is an intermediate in synthesizing 2-(4-(Methylsulfonamido)phenoxy)acetic Acid-13C (M332217), an isotopically labelled analogue of 2-(4-(Methylsulfonamido)phenoxy)acetic Acid (M332215), which is a metabolite of antiarrhythmic drug Dofetilide (D525700), a potassium channel blocker.