2-Ethoxy-3,5-difluorophenylacetonitrile
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Basic information
- CAS
1017779-84-8- Standard SMILES
CCOc1c(F)cc(F)cc1CC#N- InChIKey
PGZSLPMOMUHFCW-UHFFFAOYSA-N- Molecular formula
- C10H9F2NO
- Average molar mass
- 197.18 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxy-3,5-difluorophenylacetonitrile
- IUPAC
- 2-(2-ethoxy-3,5-difluorophenyl)acetonitrile
- English name
- 2-Ethoxy-3,5-difluorophenylacetonitrile
- Molecular formula
- C10H9F2NO
- Molecular weight
- 197.18
Names & synonyms
2-ETHOXY-3,5-DIFLUOROPHENYLACETONITRILE1017779-84-82-(2-ethoxy-3,5-difluorophenyl)acetonitrileMFCD092587192-(2-ethoxy-3,5-difluoro-phenyl)acetonitrileSBB092127AKOS006281612JS-4718CS-04430202-(2-ethoxy-3,5-difluorophenyl)ethanenitrileBenzeneacetonitrile, 2-ethoxy-3,5-difluoro-
Database identifiers
- CAS
1017779-84-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 274.2 · 274.2±35.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- refractive index
- 1.4773 · 1.4773
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- 6.1 · 6.1
- HS Code
- 2926907090 · 2926907090
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
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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