Basic information
- Standard SMILES
[O-][n+]1cccc2ccccc21- InChIKey
GIIWGCBLYNDKBO-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276384
Overview
Quinoline 1-oxide is a member of quinolines.
Names & identifiers
- Preferred name
- Quinoline 1-oxide
- IUPAC
- 1-oxidoquinolin-1-ium
- English name
- Quinoline-N-oxide
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
Quinoline 1-oxideQuinoline-N-oxideQuinoline N-oxideDTXSID00167107CCRIS 4333EINECS 216-560-6Quinoline, 1-oxide, dihydrateAI3-60109quinoline N-oxidesRefChem:178238DTXCID7089598CHEBI:26508
Show more names
quinolineoxideQuinoline-N-oxide hydrate,98%hydrate quinolin-1-ium-1-olate
216-560-6GIIWGCBLYNDKBO-UHFFFAOYSA-N1613-37-21-oxidoquinolin-1-iumQUINOLINE, 1-OXIDEQuinoline oxidequinolin-1-ium-1-olate1-Oxo-1lambda~5~-quinoline
Database identifiers
- CAS
1613-37-2- PubChem CID
- 15366
- DTXSID
DTXSID00167107- ChEMBL
CHEMBL189783- ChEBI
CHEBI:181573- UNII
- PK9J8GD3HM
- EC Number
- 216-560-6
- Nikkaji
- J84.930H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 48 · 48-53 °C
- Boiling point
- 173 °C · 173 °C / 4mmHg
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 0.87 · 0.87±0.10(Predicted)
- form
- Crystalline Powder and Chunks
- color
- Ochre to brown
- CAS DataBase Reference
- 1613 · 1613-37-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Quinoline, 1-oxide(1613-37-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- RTECS
- 2340000 · VC2340000
- HS Code
- 29334990 · 29334990
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
- rtecs
- VC2340000
- hs_code
- 29334990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesQuinoline 1-oxide is a known human metabolite of quinoline.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
河北凡博医药科技有限公司15588346797
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Additional notes
DefinitionChEBI: Quinoline 1-oxide is a member of quinolines.
Related reactions
23 records
Linked notes
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