2-(Difluoromethoxy)-5-fluorobenzonitrile
Basic information
- CAS
1017778-48-1- Standard SMILES
N#Cc1cc(F)ccc1OC(F)F- InChIKey
UTZWKIRYUNRDTJ-UHFFFAOYSA-N- Molecular formula
- C8H4F3NO
- Average molar mass
- 187.12 g/mol
- Monoisotopic mass
- 187.02449824
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-5-fluorobenzonitrile
- IUPAC
- 2-(difluoromethoxy)-5-fluorobenzonitrile
- English name
- 2-(Difluoromethoxy)-5-fluorobenzonitrile
- Molecular formula
- C8H4F3NO
- Molecular weight
- 187.12
Names & synonyms
2-(DIFLUOROMETHOXY)-5-FLUOROBENZONITRILE1017778-48-1MFCD09832329UTZWKIRYUNRDTJ-UHFFFAOYSA-NDTXSID501277572SBB090532AKOS006282950SB85539PS-114542-(difluoromethoxy)-5-fluoro-benzonitrileCS-04397922-(difluoromethoxy)-5-fluorobenzenecarbonitrile
Show more names
Benzonitrile, 2-(difluoromethoxy)-5-fluoro-
Database identifiers
- CAS
1017778-48-1- PubChem CID
- 20111958
- DTXSID
DTXSID501277572
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 252.4 · 252.4±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- form
- liquid
- color
- Clear, faint lemon
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302+H312+H332
- Precautionary statements
- 271 · P271-P260-P280
- 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302+H312+H332
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Applications
Uses2-(Difluoromethoxy)-5-fluorobenzonitrile is used as a reactant for the preparation of aminothiocarbonyl-substituted benzenesulfonamides and pyridinesulfonamides for the use as pesticides against animal pests and insects.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…