4,7-Diaza-1H-indazole
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Basic information
- CAS
272-60-6- Standard SMILES
c1cnc2[nH]ncc2n1- InChIKey
DDZGQYREBDXECY-UHFFFAOYSA-N- Molecular formula
- C5H4N4
- Average molar mass
- 120.11 g/mol
- Monoisotopic mass
- 120.04359615
Names & identifiers
- Preferred name
- 4,7-Diaza-1H-indazole
- IUPAC
- 1H-pyrazolo[3,4-b]pyrazine
- English name
- 4,7-DIAZA-1H-INDAZOLE
- Molecular formula
- C5H4N4
- Molecular weight
- 120.11
Names & synonyms
4,7-DIAZA-1H-INDAZOLERefChem:508210851-702-61H-pyrazolo[3,4-b]pyrazine272-60-62H-Pyrazolo[3,4-b]pyrazine7H-Pyrazolo[3,4-b]pyrazineMFCD09999207pyrazolopyrazine24977-38-6399-62-2SCHEMBL219870
Show more names
1H-pyrazolo[4,3-b]pyrazine
DTXSID70512807AKOS006305456AB55841DS-0372SY0977874,7-Diaza-1H-indazole;1H-Pyrazolo[3,4-b]pyrazinepyrazolo[3,4-b]pyrazineSCHEMBL881760
Database identifiers
- CAS
272-60-6- PubChem CID
- 12913751
- DTXSID
DTXSID70512807- EC Number
- 851-702-6
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 218.7 · 218.7±23.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.03 · 6.03±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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