2,3-Difluoro-4-pentylanisole
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Basic information
- CAS
134364-71-9- Standard SMILES
CCCCCc1ccc(OC)c(F)c1F- InChIKey
QAMLEBNDRSCGJV-UHFFFAOYSA-N- Molecular formula
- C12H16F2O
- Average molar mass
- 214.25 g/mol
- Monoisotopic mass
- 214.11692145
Names & identifiers
- Preferred name
- 2,3-Difluoro-4-pentylanisole
- IUPAC
- 2,3-difluoro-1-methoxy-4-pentylbenzene
- English name
- 2,3-DIFLUORO-4-PENTYLANISOLE
- Molecular formula
- C12H16F2O
- Molecular weight
- 214.25
Names & synonyms
2,3-DIFLUORO-4-PENTYLANISOLE134364-71-92,3-difluoro-1-methoxy-4-pentylbenzeneMFCD09258680SCHEMBL106186662,3-Difluoro-4-n-pentylanisoleDTXSID001270369SBB094974AKOS015956532JS-46812,3-difluoro-1-methoxy-4-pentyl-benzeneBenzene, 2,3-difluoro-1-methoxy-4-pentyl-
Show more names
CS-0337723
Database identifiers
- CAS
134364-71-9- PubChem CID
- 46737599
- DTXSID
DTXSID001270369
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 245.9 · 245.9±35.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 305 · P305+P351+P338-P280-P302+P352
- HS Code
- 2909309090 · 2909309090
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
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P305+P351+P338-P280-P302+P352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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