Actinoquinol
Basic information
- CAS
15301-40-3- Standard SMILES
CCOc1ccc(S(=O)(=O)O)c2cccnc12- InChIKey
YAMVZYRZAMBCED-UHFFFAOYSA-N- Molecular formula
- C11H11NO4S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.04087901
Overview
Actinoquinol is a member of quinolines.
Names & identifiers
- Preferred name
- Actinoquinol
- IUPAC
- 8-ethoxyquinoline-5-sulfonic acid
- English name
- 8-Ethoxyquinoline-5-sulfonic acid
- Molecular formula
- C11H11NO4S
- Molecular weight
- 253.27
Names & synonyms
Actinoquinol8-ETHOXYQUINOLINE-5-SULFONIC ACID15301-40-38-Ethoxy-5-quinolinesulfonic acidActinoquinolumactinochinoloDTXSID4046521NSC-165584470VQE23O3DTXCID2026521RefChem:109562239-334-9
Show more names
15300-40-3Aqutinoquinol8-Ethoxyquinoline-5-sulfonic Acid 8-Ethoxyquinoline-5-sulfonic Acid Hydrate8-Ethoxyquinoline-5-sulfonicAcidHydrate>8-ETHOXYQUINOLINE-5-SULFONIC ACID ISO 9001：2015 REACH
5-Quinolinesulfonic acid, 8-ethoxy-ActinochinolumActinoquinol [INN]MFCD000650598-Ethoxy-5-chinolinsulfonsaeurestarbld0009277NCGC00166018-01Actinoquinolum [INN-Latin]
Database identifiers
- CAS
15301-40-3- PubChem CID
- 23674
- DTXSID
DTXSID4046521- ChEMBL
CHEMBL1356732- ChEBI
CHEBI:135031- UNII
- 470VQE23O3
- EC Number
- 239-334-9
- Nikkaji
- J8.539A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Density
- 1.3854 · 1.3854 (rough estimate)
- refractive index
- 1.479 · 1.4790 (estimate)
- pka
- -0.88 · -0.88±0.40(Predicted)
- form
- powder to crystaline
- color
- White to Orange to Green
- BRN
- 225878 · 225878
- CAS DataBase Reference
- 15301 · 15301-40-3(CAS DataBase Reference)
- FDA UNII
- 470 VQE23O3 · 470VQE23O3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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 (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)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- F
- 10-23
- wgk
- 3
- hs_code
- 2933.49.7000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesUltraviolet screen.
Additional notes
DefinitionChEBI: Actinoquinol is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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