Basic information
- CAS
253-66-7- Standard SMILES
c1ccc2nnccc2c1- InChIKey
WCZVZNOTHYJIEI-UHFFFAOYSA-N- Molecular formula
- C8H6N2
- Average molar mass
- 130.15 g/mol
- Monoisotopic mass
- 130.05309819
Overview
Cinnoline is an azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines. It is a mancude organic heterobicyclic parent, a member of cinnolines, an azaarene and an ortho-fused heteroarene.
Names & identifiers
- Preferred name
- Cinnoline
- IUPAC
- cinnoline
- English name
- CINNOLINE
- Molecular formula
- C8H6N2
- Molecular weight
- 130.15
Names & synonyms
CINNOLINE253-66-71,2-BenzodiazinebenzopyridazineN5KD6I506ONSC-58374CHEBI:36617DTXSID60179943RefChem:126283DTXCID20102434205-964-8Benzo[c]pyridazine
Show more names
1,2-Diazanaphthalenealpha-PhenodiazineMFCD00006812C8H6N2.alpha.-PhenodiazineBenzo(c)pyridazineUNII-N5KD6I506OEINECS 205-964-8
Database identifiers
- CAS
253-66-7- PubChem CID
- 9208
- DTXSID
DTXSID60179943- ChEMBL
CHEMBL479792- ChEBI
CHEBI:36617- UNII
- N5KD6I506O
- EC Number
- 205-964-8
- Nikkaji
- J5.441K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 38 °; · 38°; mp 40-41° (Morley); mp 24-25°
- Boiling point
- 0.35 · bp0.35 114°
- Density
- 1.1509 · 1.1509 (rough estimate)
- refractive index
- 1.6231 · 1.6231 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.37 · 2.37(at 20℃)
- FDA UNII
- 5 KD6I506O · N5KD6I506O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RIDADR
- 2923 · 2923
- HazardClass
- 8 · 8
- PackingGroup
- III
Safety & regulation
Safety data
- ridadr
- 2923
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
广东胜克生化科技股份有限公司18925113981 18925113981 · [email protected]
Additional notes
DefinitionChEBI: An azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines.
Related reactions
3 records
Compound notes
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