Basic information
- CAS
3565-26-2- Standard SMILES
O=Nc1ccc(O)c2ncccc12- InChIKey
RZWRYPGAUIOOMK-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292744
Overview
5-nitroso-8-quinolinol is a hydroxyquinoline.
Names & identifiers
- Preferred name
- 5-Nitroso-8-quinolinol
- IUPAC
- 5-nitrosoquinolin-8-ol
- English name
- 5-NITROSO-8-HYDROXYQUINOLINE
- Molecular formula
- C9H6N2O2
- Molecular weight
- 174.16
Names & synonyms
5-Nitroso-8-quinolinolRefChem:7893765-Nitrosoquinolin-8-ol5-Nitroso-8-hydroxyquinoline3565-26-28-QUINOLINOL, 5-NITROSO-NSC 3852Hydron III5-Nitrosooxine8-Hydroxy-5-nitrosoquinoline5-Nitroso-8-cinnolinolNSC3852
Show more names
hydroniii5-NITROSO-OXINE5-nitroso-8-quinolino5-Nitrosochinolin-8-ol
NSC-3852RMH-79MFCD00041862NCIMech_000145P302KW5VDNMLS000775787quinoline, 8-hydroxy-5-nitroso-5-21-11-00262 (Beilstein Handbook Reference)
Database identifiers
- CAS
3565-26-2- PubChem CID
- 19103
- DTXSID
DTXSID5063079- ChEMBL
CHEMBL1479316- ChEBI
CHEBI:191001- UNII
- P302KW5VDN
- EC Number
- 222-650-6
- Nikkaji
- J21.672K、J731.337C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Solubility>26.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 245 °C · 245 °C
- Boiling point
- 305.12 °C · 305.12°C (rough estimate)
- Density
- 1.4 · 1.40
- refractive index
- 1.5651 · 1.5651 (estimate)
- storage temp.
- Store at RT
- solubility
- 2 O; · insoluble in EtOH; insoluble in H2O; ≥7.35 mg/mL in DMSO
- form
- solid
- color
- Needles from EtOH
- CAS DataBase Reference
- 3565 · 3565-26-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 302 KW5VDN · P302KW5VDN
- EPA Substance Registry System
- 8 · 8-Quinolinol, 5-nitroso- (3565-26-2)
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
Danger
H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.7%)
Safety data
- tsca
- TSCA listed
- Toxicity
- mmo-sat 1 mmol/plate MUREAV 164,263,86
- risk_code
- 5-40-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit HISTONE DEACETYLASES. This class of drugs may influence gene expression by increasing the level of acetylated HISTONES in specific CHROMATIN domains.
Uses & manufacturing
General Manufacturing Information8-Quinolinol, 5-nitroso-: ACTIVE
Applications
Uses5-NITROSO-8-HYDROXYQUINOLINE is shown to have cell differentiation and antiproliferative activity in human breast cancer cells in tissue culture and antitumor activity in mice bearing P388 and L1210 leukemic cells.
Upstream & downstream products
Downstream products
Suppliers66 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
3 records
Compound notes
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