Methyl 2-(5-fluoro-2-nitrophenoxy)acetate
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Basic information
- CAS
116355-65-8- Standard SMILES
COC(=O)COc1cc(F)ccc1[N+](=O)[O-]- InChIKey
ODNCCKAYVNDMJG-UHFFFAOYSA-N- Molecular formula
- C9H8FNO5
- Average molar mass
- 229.16 g/mol
- Monoisotopic mass
- 229.03865058
Names & identifiers
- Preferred name
- Methyl 2-(5-fluoro-2-nitrophenoxy)acetate
- IUPAC
- methyl 2-(5-fluoro-2-nitrophenoxy)acetate
- English name
- METHYL 2-(5-FLUORO-2-NITROPHENOXY)ACETATE
- Molecular formula
- C9H8FNO5
- Molecular weight
- 229.16
Names & synonyms
methyl 2-(5-fluoro-2-nitrophenoxy)acetate116355-65-8MFCD00117826Acetic acid, 2-(5-fluoro-2-nitrophenoxy)-, methyl esterMethyl 5-fluoro-2-nitrophenoxyacetateAcetic acid, (5-fluoro-2-nitrophenoxy)-, methyl esterSCHEMBL8876679DTXSID80381506ODNCCKAYVNDMJG-UHFFFAOYSA-NSBB097415AKOS008948614GS-1976
Show more names
Methyl (5-fluoro-2-nitrophenoxy)acetatemethyl 2-(5-fluoro-2-nitro-phenoxy)acetate
Database identifiers
- CAS
116355-65-8- PubChem CID
- 2779697
- DTXSID
DTXSID80381506
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 320.4 · 320.4±27.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2915390090 · 2915390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2915390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Suppliers
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Related reactions
12 records
Compound notes
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