Pentafluoropyridine
Basic information
- CAS
700-16-3- Standard SMILES
Fc1nc(F)c(F)c(F)c1F- InChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-N- Molecular formula
- C5F5N
- Average molar mass
- 169.05 g/mol
- Monoisotopic mass
- 168.99508981
Overview
structure in first source
Names & identifiers
- Preferred name
- Pentafluoropyridine
- IUPAC
- 2,3,4,5,6-pentafluoropyridine
- English name
- Pentafluoropyridine
- Molecular formula
- C5F5N
- Molecular weight
- 169.05
Names & synonyms
Pentafluoropyridine700-16-3Perfluoropyridine2,3,4,5,6-PentafluoropyridineDTXSID70220258RefChem:171373DTXCID70142749211-839-9Pyridine, pentafluoro-2,3,4,5,6-PerfluoropyridineMFCD000062254-methoxybenzoic acid 2-ethylbutyl ester
Show more names
Pentafluoropyridine>Pentafluoropyridine 99%5-Chloro-2-caynopyridinePENTAFLUOROPYRIDINE, 99+%Pentafluoropyridine, 99+% 5GRPyridine, 2,3,4,5,6-pentafluoro-
C5F5NEINECS 211-839-9Pentafluoropyridine, >=99%SCHEMBL1886942,3,4,5,6-pentafluoro-pyridineSBB088228AKOS005063396CS-W017731
Database identifiers
- CAS
700-16-3- PubChem CID
- 69690
- DTXSID
DTXSID70220258- EC Number
- 211-839-9
- Nikkaji
- J89B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -42 · -42
- Boiling point
- 83 °C · 83 °C
- Density
- 1.62 · 1.62
- refractive index
- 1.39 · 1.39
- Flash point
- 25 °C · 25 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- clear liquid
- pka
- -12.08 · -12.08±0.28(Predicted)
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.62 · 1.62
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1427064 · 1427064
- InChI
- 1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2933399090
- risk_code
- 10-20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 26-28-24/25-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302+H312+H332
Chemistry & industry
Applications
UsesPentafluoropyridine was used in the preparation of η2-C,C coordinated pentafluoropyridine complex. It was also used in the preparation of polyfluorinated coupling products via Pd(0)-catalyzed cross-coupling reaction with diarylzinc compounds. It was also used as derivatizing reagent in the sensitive GC-MS method for determination of the four endocrine disrupting chemicals.
General DescriptionThe reactions of pentafluoropyridine with cobalt(0) complex, Co(PMe3)4 was investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
93 records
Compound notes
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