Quinolin-1-ium-8-sulfonate

HCID 5256249

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Basic information

CAS: 85-48-3
Standard SMILES: O=S(=O)([O-])c1cccc2ccc[nH+]c12
InChIKey: SXVRECLPTCOMIA-UHFFFAOYSA-N
Molecular formula: C9H7NO3S
Average molar mass: 209.22 g/mol
Monoisotopic mass: 209.01466426

Overview

See also: 8-Quinolinesulfonic acid (preferred).

Names & identifiers

Preferred name: Quinolin-1-ium-8-sulfonate
IUPAC: quinolin-1-ium-8-sulfonate
English name: Quinoline-8-sulfonic acid
Molecular formula: C9H7NO3S
Molecular weight: 209.22

Names & synonyms

SKL276AKOS BBS-00004475Quinoline-8-sulfonicaci8-QUINOLINESULFONIC ACID8-quinolin-1-iumsulfonateQuinoline-8-sulfonic acidquinolin-1-ium-8-sulfonateQUINOLINE-8-SULPHONIC ACIDQUINOLINE-8-SULFONIC ACID, 98 %Quinoline-8-sulfonic acid in acetonitrile

Database identifiers

CAS: 85-48-3
PubChem CID: 5256249
Nikkaji: J1.966.680H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 79.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 300 °C · >300°C
Density: 1.62 g/cm3 · 1.62 g/cm3
storage temp.: Sealed in dry,Room Temperature
pka: -1.83 · -1.83±0.40(Predicted)
BRN: 9501 · 9501
InChI: InChI=1S/C9H7NO3S/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)
InChIKey: SXVRECLPTCOMIA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2S(O)(=O)=O)C=CC=1
FDA UNII: 84 Y9B81O6X · 84Y9B81O6X
EPA Substance Registry System: 8 · 8-Quinolinesulfonic acid (85-48-3)
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-20
RIDADR: 2585 · 2585
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29334900 · 29334900
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca: TSCA listed
ridadr: 2585
hs_code: 29334900
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS05
safety_code: 26-36/37/39-45-20
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Upstream & downstream products

Downstream products

2-(quinolin-8-yl)ethanol 6-Quinolinesulfonic acid

Suppliers100 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [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]

Related reactions

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Compound notes

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