Methyl 3,5-difluoro-4-methoxybenzoate
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Basic information
- CAS
329-45-3- Standard SMILES
COC(=O)c1cc(F)c(OC)c(F)c1- InChIKey
PAZAIJLLXCVINX-UHFFFAOYSA-N- Molecular formula
- C9H8F2O3
- Average molar mass
- 202.15 g/mol
- Monoisotopic mass
- 202.04415044
Names & identifiers
- Preferred name
- Methyl 3,5-difluoro-4-methoxybenzoate
- IUPAC
- methyl 3,5-difluoro-4-methoxybenzoate
- English name
- Methyl 3,5-difluoro-4-methoxybenzoate
- Molecular formula
- C9H8F2O3
- Molecular weight
- 202.15
Names & synonyms
Methyl 3,5-difluoro-4-methoxybenzoate329-45-3Methyl 3,5-difluoro-4-methoxy-benzoateMFCD11520390SCHEMBL8465292Methyl3,5-difluoro-4-methoxybenzoateAKOS040768147BS-34971CS-0191472E90488F629366Benzoic acid, 3,5-difluoro-4-methoxy-, methyl ester
Database identifiers
- CAS
329-45-3- PubChem CID
- 54179753
- Nikkaji
- J1.302.327A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 37.5 °C · 37.5 °C
- Boiling point
- 55 °C · 55 °C(Press: 0.2 Torr)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- form
- crystalline solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P362+P364
- HS Code
- 2918290090 · 2918290090
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
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338-P362+P364
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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