2,6-Diformylpyridine
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Basic information
- CAS
5431-44-7- Standard SMILES
O=Cc1cccc(C=O)n1- InChIKey
PMWXGSWIOOVHEQ-UHFFFAOYSA-N- Molecular formula
- C7H5NO2
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.0320284
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,6-Diformylpyridine
- IUPAC
- pyridine-2,6-dicarbaldehyde
- English name
- 2,6-Pyridinedicarboxaldehyde
- Molecular formula
- C7H5NO2
- Molecular weight
- 135.12
Names & synonyms
2,6-diformylpyridineDTXSID80202681RefChem:870721DTXCID101251722,6-Pyridinedicarboxaldehyde5431-44-7Pyridine-2,6-dicarbaldehydeMFCD000101032,6-Pyridine dialdehydeEINECS 226-589-62,6-pyridine dicarboxaldehyde2,6-Pyridinedicarbaldehyde #
Show more names
Pyridine-2,6-dicarboxaldehyde2,6-Pyridinedicarbox2,6-Pyridinedicarbaldehyde2,6-PYRIDINEDICARBOXADEHYDEPyridine-2,6-biscarbaldehyde2,6-Pyridinedicarboxaldehyde>
FX6E2354Y8NSC 13393NSC-13393SB37598DS-10714P0949P59575YSWG467
Database identifiers
- CAS
5431-44-7- PubChem CID
- 79485
- DTXSID
DTXSID80202681- UNII
- FX6E2354Y8
- EC Number
- 226-589-6
- Nikkaji
- J28.016J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 124 · 124-125 °C (lit.)
- Boiling point
- 152 · 152-154 °C/103 mmHg (lit.)
- Density
- 1.3124 · 1.3124 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 1.84 · 1.84±0.10(Predicted)
- color
- White to tan
- InChI
- InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H
- InChIKey
- PMWXGSWIOOVHEQ-UHFFFAOYSA-N
- SMILES
- C1(C=O)=NC(C=O)=CC=C1
- CAS DataBase Reference
- 5431 · 5431-44-7(CAS DataBase Reference)
- FDA UNII
- 6 E2354Y8 · FX6E2354Y8
- NIST Chemistry Reference
- 2 · 2,6-Pyridinedicarboxaldehyde(5431-44-7)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Pyridinedicarboxaldehyde has been used in preparation of:functionalized resin Amberlite XAD-4boron-dipyrromethene (BODIPY)-based fluorescence probe with a N,N′-(pyridine-2, 6-diylbis(methylene))-dianiline substituent novel N-heterocyclic chitosan aerogel derivatives
Uses2,6-Pyridinedicarboxaldehyde is an intermediate used to prepare functionalized resin Amberlite XAD-4,boron-dipyrromethene (BODIPY)-based fluorescence probe with a N,N′-(pyridine-2, 6-diylbis(methylene))-dianiline substituent and novel N-heterocyclic chitosan aerogel derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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