CAS 37686-68-3 2-Fluoro-3,4-dimethoxybenzaldehyde (HCID 603588)

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Basic information

CAS: 37686-68-3
Standard SMILES: COc1ccc(C=O)c(F)c1OC
InChIKey: UDBUQQVUWKHCAR-UHFFFAOYSA-N
Molecular formula: C9H9FO3
Average molar mass: 184.16 g/mol
Monoisotopic mass: 184.05357237

Names & identifiers

Preferred name: 2-Fluoro-3,4-dimethoxybenzaldehyde
IUPAC: 2-fluoro-3,4-dimethoxybenzaldehyde
English name: 2-Fluoro-3,4-dimethoxy-benzaldehyde
Molecular formula: C9H9FO3
Molecular weight: 184.16

Names & synonyms

2-Fluoro-3,4-dimethoxybenzaldehyde37686-68-3DTXSID30345310RefChem:260847DTXCID402963842-FLUORO-3,4-DIMETHOXY-BENZALDEHYDEMFCD03411462Benzaldehyde, 2-fluoro-3,4-dimethoxy-SCHEMBL16204912-Fluoro-3,4-dimethoxybenzaldehyde #BS-16976SY222713

Show more names

CS-0150637Z12553912642-fluoroveratraldehydeAM20040323AKOS022641534MB02736EN300-370641F692616

Database identifiers

CAS: 37686-68-3
PubChem CID: 603588
DTXSID: DTXSID30345310
Nikkaji: J688.120C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 54.5 · 54.5-55.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point: 268.2 · 268.2±35.0 °C(Predicted)
Density: 1.201 · 1.201±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338