3,4-Dihydro-2H-pyrano[3,2-b]pyridine
Basic information
- CAS
70381-92-9- Standard SMILES
c1cnc2c(c1)OCCC2- InChIKey
XNARZJQXBMWIQU-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 3,4-Dihydro-2H-pyrano[3,2-b]pyridine
- IUPAC
- 3,4-dihydro-2H-pyrano[3,2-b]pyridine
- English name
- 3,4-Dihydro-2H-pyrano[3,2-b]pyridine
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
3,4-Dihydro-2H-pyrano[3,2-b]pyridine70381-92-9DTXSID505000403,4-Dihydro-2H-pyrano(3,2-b)pyridineRefChem:486155DTXCID10450850MFCD13176054dihydropyranopyridine2H-Pyrano[3,2-b]pyridine, 3,4-dihydro-SCHEMBL13573AKOS006334750SB38393
Show more names
2H,3H,4H-pyrano[3,2-b]pyridine3,4-Dihydro-2H-pyrano[3,2-b]pyridine ISO 9001：2015 REACH
AS-425323,4-Dihydro-2H-pyrano3,2-bpyridineSCHEMBL1484082SCHEMBL2118218SCHEMBL20186897SCHEMBL28591868SCHEMBL30341141VCA38192
Database identifiers
- CAS
70381-92-9- PubChem CID
- 12486249
- DTXSID
DTXSID50500040- EC Number
- 109-576-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 227.4 · 227.4±9.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 6.18 · 6.18±0.20(Predicted)
- InChI
- 1S/C8H9NO/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5H,2-3,6H2
- InChIKey
- XNARZJQXBMWIQU-UHFFFAOYSA-N
- SMILES
- C1COc2cccnc2C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses3,4-Dihydro-2H-pyrano[3,2-b]pyridine is used in an iridium-based photoredox catalytic system for radical conjugate addition of nitrogen heterocycles to alkenes.
Suppliers
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Related reactions
2 records
Compound notes
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