Basic information
- Standard SMILES
Fc1cccc(F)n1- InChIKey
MBTGBRYMJKYYOE-UHFFFAOYSA-N- Molecular formula
- C5H3F2N
- Average molar mass
- 115.08 g/mol
- Monoisotopic mass
- 115.02335554
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,6-Difluoropyridine
- IUPAC
- 2,6-difluoropyridine
- English name
- 2,6-Difluoropyridine
- Molecular formula
- C5H3F2N
- Molecular weight
- 115.08
Names & synonyms
Show more names
Database identifiers
- CAS
1513-65-1- PubChem CID
- 73934
- DTXSID
DTXSID80164755- ChEMBL
CHEMBL449478- UNII
- Y58NXZ62TV
- EC Number
- 216-152-8
- Nikkaji
- J149.539I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.8
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 124.5 °C/743 · 124.5 °C/743 mmHg (lit.)
- Density
- 1.268 g/mL · 1.268 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.437(lit.)
- Flash point
- 93 °F · 93 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Not miscible or difficult to mix.
- form
- Liquid
- pka
- -6.09 · -6.09±0.10(Predicted)
- Specific Gravity
- 1.268 · 1.268
- color
- Clear purple-red
- BRN
- 1422549 · 1422549
- Dielectric constant
- 107.8 · 107.8
- InChI
- 1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
- InChIKey
- MBTGBRYMJKYYOE-UHFFFAOYSA-N
- SMILES
- Fc1cccc(F)n1
- CAS DataBase Reference
- 1513 · 1513-65-1(CAS DataBase Reference)
- FDA UNII
- 58 NXZ62TV · Y58NXZ62TV
- NIST Chemistry Reference
- 2 · 2,6-Difluoropyridine(1513-65-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T,F
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39-37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Hazard Note
- Toxic
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29333999 · 29333999
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29333999
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,T,F
- hazard_note
- Toxic
- safety_code
- 16-26-36/37/39-37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Difluoropyridine has been used in the preparation of poly(pyridine ether)s via polycondensation with silylated 1,1,1-tris(4-hydroxyphenyl)ethane.
General DescriptionLithium diisopropylamide (LDA)-mediated ortholithiations of 2,6-difluoropyridine in tetrahydrofuran at -78°C has been studied using a combination of IR and NMR spectroscopic and computational methods. Polycondensation of bistrimethylsilyl derivatives of various diphenols with 2,6-difluoropyridine in N-methylpyrrolidone in the presence of K2CO3 has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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