Basic information
- CAS
84-88-8- Standard SMILES
O=S(=O)(O)c1ccc(O)c2ncccc12- InChIKey
LGDFHDKSYGVKDC-UHFFFAOYSA-N- Molecular formula
- C9H7NO4S
- Average molar mass
- 225.22 g/mol
- Monoisotopic mass
- 225.00957888
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 8-Hydroxyquinoline-5-sulfonic acid
- IUPAC
- 8-hydroxyquinoline-5-sulfonic acid
- English name
- 8-Hydroxyquinoline-5-sulfonic acid
- Molecular formula
- C9H7NO4S
- Molecular weight
- 225.22
Names & synonyms
8-Hydroxyquinoline-5-sulfonic acid84-88-8Sulfoxine8-Hydroxy-5-quinolinesulfonic acidOxine-5-sulfonic acid5-Quinolinesulfonic acid, 8-hydroxy-8-Quinolinol-5-sulfonic acidE8Z193G3L2NSC-13139DTXSID7041542RefChem:548167DTXCID5021542
Show more names
Oxin-5-sulfonicacid8-QUINOLINONE-5-SULFONIC ACID8-Hydroxyquinoline-5-sulfonic
201-570-55-Sulfooxine5-Sulfo-8-quinolinol5-Sulfo-8-hydroxyquinoline8-Hydroxy-5-sulfoquinoline8-Hydroxyquinoline-5-sulphonic acidNSC 13139MFCD00006795
Database identifiers
- CAS
84-88-8- PubChem CID
- 6792
- DTXSID
DTXSID7041542- ChEMBL
CHEMBL2407598- UNII
- E8Z193G3L2
- EC Number
- 201-570-5
- Nikkaji
- J3.884I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
Physical DescriptionPale yellow odorless solid; [Merck Index] Crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 311 · 311-313°C
- Density
- 1.4899 · 1.4899 (rough estimate)
- refractive index
- 1.5364 · 1.5364 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- pka
- 1 · pK1:4.092(＋1);pK2:8.776(0) (25°C)
- form
- crystalline
- color
- yellow to green
- Merck
- 4844 · 4844
- Stability
- Hygroscopic
- InChI
- InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
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
Warning
H315 (90.5%): 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)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information5-Quinolinesulfonic acid, 8-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) > 800 mg/kg; [RTECS] An irritant; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC2570000
- ridadr
- 2811
- hs_code
- 29334990
- risk_code
- 22-36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- 6.1(b)
Chemistry & industry
Uses & manufacturing
Uses
Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in trace metal determinations; [Merck Index]
Use (kg; approx.) in Germany (2009): >50
General Manufacturing Information5-Quinolinesulfonic acid, 8-hydroxy-: ACTIVE
Applications
Uses8-Hydroxy-5-quinolinesulfonic acid is used in the synthesis of fat mass and obesity associated proteins. Also used in the synthesis of anti-schitosomal compounds.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
河北凡博医药科技有限公司15588346797 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
Related reactions
1 records
Compound notes
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