Basic information
- CAS
84476-99-3- Standard SMILES
Fc1ccc(F)nc1- InChIKey
XFAMUOYNXFXQTC-UHFFFAOYSA-N- Molecular formula
- C5H3F2N
- Average molar mass
- 115.08 g/mol
- Monoisotopic mass
- 115.02335554
Names & identifiers
- Preferred name
- 2,5-Difluoropyridine
- IUPAC
- 2,5-difluoropyridine
- English name
- 2,5-Difluoropyridine
- Molecular formula
- C5H3F2N
- Molecular weight
- 115.08
Names & synonyms
2,5-Difluoropyridine84476-99-3DTXSID30376528RefChem:247435DTXCID90327556674-957-3MFCD04114191Pyridine, 2,5-difluoro-2,5-Difluoropyridine, 97%SCHEMBL404295SCHEMBL406724SCHEMBL406830
Show more names
Pyridine,2,5-difluoro-2,5-Difluoropyridine>2,5-Difluoropyridine 99%2,5- twofluorine pyridine2,5-difluoropyridine >99%2,5-Difluoropyridine ISO 9001：2015 REACH
SCHEMBL415945SCHEMBL29362784XFAMUOYNXFXQTC-UHFFFAOYSA-N2,5-Difluoropyridine, AldrichCPRAKOS005063482AC-6251CS-W003160FD38498
Database identifiers
- CAS
84476-99-3- PubChem CID
- 2762871
- DTXSID
DTXSID30376528- EC Number
- 674-957-3
- Nikkaji
- J1.774.358I
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 76.8
Physicochemical properties
- Melting point
- -33 °C · -33°C(lit.)
- Boiling point
- 115 °C · 115°C(lit.)
- Density
- 1.274 g/mL · 1.274 g/mL at 25 °C
- refractive index
- 1.444 · 1.4440
- Flash point
- 24 ℃ · 24℃
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- -2.85 · -2.85±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C5H3F2N/c6-4-1-2-5(7)8-3-4/h1-3H
- InChIKey
- XFAMUOYNXFXQTC-UHFFFAOYSA-N
- SMILES
- C1(F)=NC=C(F)C=C1
- CAS DataBase Reference
- 84476 · 84476-99-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
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
Warning
H226 (95.7%): 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 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)
Safety data
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29333990
- risk_code
- 10-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- T,F,Xi,Xn
- safety_code
- 16-26-36/37/39-37
- 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)
Chemistry & industry
Applications
Uses2,5-Difluoropyridine is a pyridine derivative, mainly used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司
Related reactions
20 records
Compound notes
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