7-Chloro-4-cinnolinol
Basic information
- CAS
876-95-9- Standard SMILES
O=c1cn[nH]c2cc(Cl)ccc12- InChIKey
PBZDLEGIQGUEIW-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 180.0090405
Names & identifiers
- Preferred name
- 7-Chloro-4-cinnolinol
- IUPAC
- 7-chloro-1H-cinnolin-4-one
- English name
- 7-Chloro-cinnolin-4-ol
- Molecular formula
- C8H5ClN2O
- Molecular weight
- 180.59
Names & synonyms
876-95-97-Chloro-4-cinnolinol4-Cinnolinol, 7-chloro-7X8CN6C3KGNSC 145001NSC-145001DTXSID70236516RefChem:105924DTXCID001590077-chlorocinnolin-4-ol7-chlorocinnolin-4(1h)-one7-chloro-1H-cinnolin-4-one
Show more names
7-Choro-4-cinnolinol7-Chloro-cinnolin-4-ol
18514-89-1NSC1450014-Cinnolinol,7-chloro-UNII-7X8CN6C3KGSCHEMBL1552148MFCD00033688MFCD279465417-chloro-1,4-dihydrocinnolin-4-one
Database identifiers
- CAS
876-95-9- PubChem CID
- 286545
- DTXSID
DTXSID70236516- UNII
- 7X8CN6C3KG
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 288 °C · 288 °C(Solv: ethanol (64-17-5))
- Boiling point
- 383 · 383.0±45.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- 2.34 · 2.34±0.40(Predicted)
- FDA UNII
- 7 X8CN6C3KG · 7X8CN6C3KG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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