4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
Basic information
- CAS
175277-01-7- Standard SMILES
N#Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1- InChIKey
IPRJCIVGKWLASQ-UHFFFAOYSA-N- Molecular formula
- C13H7F3N2O
- Average molar mass
- 264.2 g/mol
- Monoisotopic mass
- 264.05104734
Names & identifiers
- Preferred name
- 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
- IUPAC
- 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
- English name
- 2-(4-CYANOPHENOXY)-5-(TRIFLUOROMETHYL)PYRIDINE
- Molecular formula
- C13H7F3N2O
- Molecular weight
- 264.2
Names & synonyms
175277-01-74-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}benzonitrile4-[5-(trifluoromethyl)pyridin-2-yl]oxybenzonitrileMFCD00173780Benzonitrile, 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarbonitrile4-[5-(trifluoromethyl)-2-pyridyloxy]benzenecarbonitrileMaybridge1_008624orb3030402SCHEMBL6982061
Show more names
AKOS BBS-00005268BUTTPARK 43\57-992-(4-CYANOPHENOXY)-5-(TRIFLUOROMETHYL)PY2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine97%4-[[5-(TRIFLUOROMETHYL)-2-PYRIDYL]OXY]BENZONITRILE2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine 97%BENZONITRILE,4-[[5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY]4-(5-Trifluoromethylpyridin-2-yloxy)phenylacetonitrile
HMS565P22DTXSID90352161IPRJCIVGKWLASQ-UHFFFAOYSA-NFr13916SBB041612AKOS000269861DB-025697CS-0157436
Database identifiers
- CAS
175277-01-7- PubChem CID
- 720365
- DTXSID
DTXSID90352161
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 353 ℃ · 353℃
- Density
- 1.38 · 1.38
- Flash point
- 167 ℃ · 167℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.4 · -0.40±0.22(Predicted)
- CAS DataBase Reference
- 175277 · 175277-01-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Irritant
- HazardClass
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
- ridadr
- 3276
- hs_code
- 2933399990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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