2,6-Dichloro-3-fluoropyridine
Basic information
- CAS
52208-50-1- Standard SMILES
Fc1ccc(Cl)nc1Cl- InChIKey
YAXSIJLRAOURJK-UHFFFAOYSA-N- Molecular formula
- C5H2Cl2FN
- Average molar mass
- 165.98 g/mol
- Monoisotopic mass
- 164.95483264
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-fluoropyridine
- IUPAC
- 2,6-dichloro-3-fluoropyridine
- English name
- 2,6-Dichloro-3-fluoropyridine
- Molecular formula
- C5H2Cl2FN
- Molecular weight
- 165.98
Names & synonyms
2,6-Dichloro-3-fluoropyridine52208-50-1DTXSID70535016RefChem:1060242DTXCID70485805879-887-9Pyridine, 2,6-dichloro-3-fluoro-MFCD099078152,6-dichloro-3-fluoro-pyridine2,6-dichloro-5-fluoropyridineCL2V3BME3B26-Dichloro-3-fluoropyridine
Show more names
2,6-Dichloro-3-fluoropyridine ISO 9001：2015 REACH
SCHEMBL4114392,6-Dichloro-3-fluoropyridinSCHEMBL1679864SCHEMBL21777534SCHEMBL29737981YAXSIJLRAOURJK-UHFFFAOYSA-NAKOS006311785CS-W003683
Database identifiers
- CAS
52208-50-1- PubChem CID
- 13290751
- DTXSID
DTXSID70535016- UNII
- CL2V3BME3B
- EC Number
- 879-887-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 44 · 44-46°C
- Boiling point
- 196 · 196.0±35.0 °C(Predicted)
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.21 · -3.21±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H2Cl2FN/c6-4-2-1-3(8)5(7)9-4/h1-2H
- InChIKey
- YAXSIJLRAOURJK-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=CC=C1F
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P301+P310-P305+P351+P338
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1
- PackingGroup
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2811
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Hazard statements
- H301-H315-H318-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-P280-P301+P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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