Pyridazine 1-oxide
Basic information
- CAS
1457-42-7- Standard SMILES
[O-][n+]1ccccn1- InChIKey
GAJBWMUZVXJIBO-UHFFFAOYSA-N- Molecular formula
- C4H4N2O
- Average molar mass
- 96.09 g/mol
- Monoisotopic mass
- 96.03236276
Names & identifiers
- Preferred name
- Pyridazine 1-oxide
- IUPAC
- 1-oxidopyridazin-1-ium
- English name
- Pyridazine N-oxide
- Molecular formula
- C4H4N2O
- Molecular weight
- 96.09
Names & synonyms
1457-42-7Pyridazine 1-oxideDTXSID50163139RefChem:177557DTXCID8085630NSC 343739Pyridazine N-oxide1-oxidopyridazin-1-iumPyridazine, 1-oxidePYRIDAZIN-1-IUM-1-OLATEPyridazine-1-oxidePYRIDAZINE-N-OXIDE
Show more names
Pyridazine N-oxide 97%Pyridazine N-oxide ISO 9001：2015 REACH4-chlorine-5-Mi oxide pyridazine -3(2H)-ketone
Pyridazine1-oxideMFCD05742416NSC343739Pyridazine N-oxide, 97%SCHEMBL30565SCHEMBL40580SCHEMBL193694SCHEMBL778233
Database identifiers
- CAS
1457-42-7- PubChem CID
- 137016
- DTXSID
DTXSID50163139- EC Number
- 622-513-4
- Nikkaji
- J151.452K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 298 · 298-305 °C
- form
- solid
- InChI
- 1S/C4H4N2O/c7-6-4-2-1-3-5-6/h1-4H
- InChIKey
- GAJBWMUZVXJIBO-UHFFFAOYSA-N
- SMILES
- [O-][n+]1ccccn1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- RIDADR
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3335
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesCoupling partner in Pd-catalyzed direct arylation reactions.
Suppliers
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Related reactions
2 records
Compound notes
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