3,5-Dichloro-2-pyridone
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Basic information
- CAS
5437-33-2- Standard SMILES
O=c1[nH]cc(Cl)cc1Cl- InChIKey
ZICOPWJJZSJEDL-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2NO
- Average molar mass
- 163.99 g/mol
Overview
3,5-Dichloro-1,2-dihydropyridin-2-one is a chloropyridine.
Names & identifiers
- Preferred name
- 3,5-Dichloro-2-pyridone
- IUPAC
- 3,5-dichloro-1H-pyridin-2-one
- English name
- 3,5-Dichloro-2-pyridone
- Molecular formula
- C5H3Cl2NO
- Molecular weight
- 163.99
Names & synonyms
3,5-Dichloro-2-pyridone2(1H)-Pyridinone, 3,5-dichloro-3,5-Dichloro-2-pyridinol3,5-dichloropyridin-2(1H)-one2-Pyridinol, 3,5-dichloro-S7XC36D6EE3,5-Dichloro-2(1H)-pyridinoneNSC-16021RefChem:91466DTXCID8030768226-609-3DTXSID3052197
Show more names
AKOS BBS-000013713,5-dichloro-2-pyridino2-Pyridinol,3,5-dichloro-3,5-dichloro-2(1h)-pyridon3,5-Dichloro-2-pyridone>3,5-Dichloro-2(1H)-pyridone
InChI=1/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9ZICOPWJJZSJEDL-UHFFFAOYSA-N5437-33-23,5-Dichloro-2-hydroxypyridine3,5-dichloropyridin-2-ol3,5-dichloro-1H-pyridin-2-one2(1H)-Pyridone, 3,5-dichloro-MFCD00015401
Database identifiers
- CAS
5437-33-2- PubChem CID
- 79496
- ChEMBL
CHEMBL4296976- ChEBI
CHEBI:194759- UNII
- S7XC36D6EE
- EC Number
- 226-609-3
- Nikkaji
- J31.364E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 180 · 180-182 °C (lit.)
- Boiling point
- 275.9 · 275.9±40.0 °C(Predicted)
- Density
- 1.2557 · 1.2557 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 8.48 · 8.48±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 1524971 · 1524971
- InChI
- 1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
- InChIKey
- ZICOPWJJZSJEDL-UHFFFAOYSA-N
- SMILES
- Oc1ncc(Cl)cc1Cl
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UV1146300
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T+
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyridinone, 3,5-dichloro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3,5-Dichloro-1,2-dihydropyridin-2-one is a chloropyridine.
Suppliers
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Related reactions
12 records
Compound notes
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