2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid
Basic information
- CAS
10158-72-2- Standard SMILES
O=C(O)Cn1[nH]c(=O)ccc1=O- InChIKey
XVSCOGMAPCVMSV-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- 2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid
- IUPAC
- 2-(3,6-dioxo-1H-pyridazin-2-yl)acetic acid
- English name
- (3,6-DIOXO-3,6-DIHYDROPYRIDAZIN-1(2H)-YL)ACETIC ACID
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acidRefChem:454789874-013-210158-72-22-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)acetic acid(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetic acidMFCD00968532(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-acetic acid2-(3,6-dioxo-1H-pyridazin-2-yl)acetic acid(3-hydroxy-6-oxopyridazin-1(6H)-yl)acetic acid2-(3,6-dioxo-1,2-dihydropyridazinyl)acetic acidNSC22856
Show more names
2-(3,6-dioxo-2H-pyridazin-1-yl)acetate3,6-Dihydro-3,6-dioxo-1(2H)-pyridazineacetic acid1(2H)-Pyridazineacetic acid, 3,6-dihydro-3,6-dioxo-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetic acid(SALTDATA: FREE)
SCHEMBL11248494DTXSID40906375XVSCOGMAPCVMSV-UHFFFAOYSA-NKAA15872NSC-22856SBB016548STK634286STK802274
Database identifiers
- CAS
10158-72-2- PubChem CID
- 229302
- DTXSID
DTXSID40906375- EC Number
- 874-013-2
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 245 °C · 245 °C
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.48 · 3.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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