Basic information
- CAS
63001-30-9- Standard SMILES
COC(=O)c1ccc(=O)[nH]n1- InChIKey
REYKVZJYIFOXTI-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784205
Names & identifiers
- Preferred name
- Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- IUPAC
- methyl 6-oxo-1H-pyridazine-3-carboxylate
- English name
- Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
63001-30-9METHYL 6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATEDTXSID40429337RefChem:356365DTXCID40380171839-733-3METHYL 3-HYDROXYPYRIDAZINE-6-CARBOXYLATEmethyl 6-hydroxypyridazine-3-carboxylatemethyl 6-oxo-1H-pyridazine-3-carboxylateMFCD08166726methyl 6-o3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, methyl ester
Show more names
AKOS BBS-00006829Methyl 3-hydroxypyridazin...Methyl 6-oxopyridazine-3-carboxylate1,6-Dihydro-3-(methoxycarbonyl)-6-oxopyridazine
Methyl 1,6-dihydro-6-oxopyridazine-3-carboxylatemethyl 6-oxohydropyridazine-3-carboxylateSY008390CS-0043958methyl 6-oxo-1,6-dihydro-3-pyridazinecarboxylatemethyl 6-oxidanylidene-1H-pyridazine-3-carboxylateF2147-02266-Oxo-1,6-dihydropyridazine-3-carboxylicacidmethylester
Database identifiers
- CAS
63001-30-9- PubChem CID
- 9124994
- DTXSID
DTXSID40429337
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 188 °C · 188 °C
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.34 · 10.34±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C6H6N2O3/c1-11-6(10)4-2-3-5(9)8-7-4/h2-3H,1H3,(H,8,9)
- InChIKey
- REYKVZJYIFOXTI-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NNC(=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers92 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
2 records
Compound notes
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