Basic information
- CAS
123696-01-5- Standard SMILES
COc1cn[nH]c(=O)c1- InChIKey
NRILSJUKEHQBLU-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.04292744
Names & identifiers
- Preferred name
- 5-Methoxy-2,3-dihydropyridazin-3-one
- IUPAC
- 4-methoxy-1H-pyridazin-6-one
- English name
- 5-METHOXYPYRIDAZIN-3(2H)-ONE
- Molecular formula
- C5H6N2O2
- Molecular weight
- 126.11
Names & synonyms
5-METHOXY-2,3-DIHYDROPYRIDAZIN-3-ONERefChem:536622822-643-35-METHOXYPYRIDAZIN-3(2H)-ONE123696-01-54-methoxy-1H-pyridazin-6-one3(2H)-Pyridazinone, 5-methoxy-MFCD056645095-methoxy-2H-pyridazin-3-one3-hydroxy-5-methoxypyridazine5-methoxy-3(2H)-pyridazinone3(2H)-Pyridazinone,5-methoxy-
Show more names
5-methoxypyridazin-3-ol-METHOXYPYRIDAZIN-3(2H)-ONE3-methoxy-3(2H)-pyridazinone5-METHOXYPYRIDAZIN-3(2H)-ONE ISO 9001：2015 REACH5-methoxypyridazin-3-ol 3-hydroxy-5-Methoxypyridazine
AURORA KA-3645SCHEMBL1008617SCHEMBL8740138SCHEMBL30277307DTXSID70356228NRILSJUKEHQBLU-UHFFFAOYSA-N5-METHOXY-2,3-DIHYDROPY5-methoxy-2-hydropyridazin-3-one
Database identifiers
- CAS
123696-01-5- PubChem CID
- 820664
- DTXSID
DTXSID70356228- EC Number
- 822-643-3
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.57 · 10.57±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C5H6N2O2/c1-9-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
- InChIKey
- NRILSJUKEHQBLU-UHFFFAOYSA-N
- SMILES
- C1(=O)NN=CC(OC)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
2 records
Compound notes
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