Basic information
- CAS
130-16-5- Standard SMILES
Oc1ccc(Cl)c2cccnc12- InChIKey
CTQMJYWDVABFRZ-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Overview
Cloxiquine is a member of quinolines and an organochlorine compound.
Names & identifiers
- Preferred name
- 5-Chloro-8-hydroxyquinoline
- IUPAC
- 5-chloroquinolin-8-ol
- English name
- 5-Chloro-8-hydroxyquinoline
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
5-CHLORO-8-HYDROXYQUINOLINE130-16-55-Chloroquinolin-8-olCloxiquinecloxyquinCloxiquinaCloxiquinumcloxiquinDTXSID4045973BPF36H1G6SNSC-35083DTXCID2025973
Show more names
CloxyquiCloxyquine
RefChem:127142204-978-15-Chloro-8-quinolinol8-Quinolinol, 5-chloro-5-ChlorooxineDermofonginDermofunginChlorisept
Database identifiers
- CAS
130-16-5- PubChem CID
- 2817
- DTXSID
DTXSID4045973- ChEMBL
CHEMBL225164- ChEBI
CHEBI:134818- UNII
- BPF36H1G6S
- EC Number
- 204-978-1
- Nikkaji
- J2.942D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
Collision Cross Section
132.71 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
129.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 122 · 122-124 °C(lit.)
- Boiling point
- 348.7 · 348.7±22.0 °C(Predicted)
- Density
- 1.2364 · 1.2364 (rough estimate)
- vapor pressure
- 0.003 Pa · 0.003Pa at 25℃
- refractive index
- 1.533 · 1.5330 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.019 g/l · 0.019g/l (experimental)
- form
- Powder
- pka
- 3.77 · 3.77±0.10(Predicted)
- color
- Light green to gray
- Sensitive
- Light Sensitive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 134) of reports.
Danger
H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 134 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Cloxiquine (EC: 204-978-1)
5-Chloro-8-quinolinol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (76.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC4590000
- hs_code
- 29334990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H410
Chemistry & industry
Uses & manufacturing
General Manufacturing Information8-Quinolinol, 5-chloro-: ACTIVE
Applications
Usesantibacterial, antifungal
UsesDermofungin, is an impurity of Cioquinol, which is an antifungal and antiprotozoal drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
18 records
Compound notes
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