4,5-Dioxonionaphthalene-2,7-disulfonate
Basic information
- CAS
148-25-4- Standard SMILES
O=S(=O)([O-])c1cc([OH2+])c2c([OH2+])cc(S(=O)(=O)[O-])cc2c1- InChIKey
HLVXFWDLRHCZEI-UHFFFAOYSA-N- Molecular formula
- C10H8O8S2
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 319.96605956
Overview
See also: Chromotropic acid (preferred).
Names & identifiers
- Preferred name
- 4,5-Dioxonionaphthalene-2,7-disulfonate
- IUPAC
- 4,5-dioxonionaphthalene-2,7-disulfonate
- English name
- 1,8-Dihydroxynaphthylene-3,6-disulfonic acid
- Molecular formula
- C10H8O8S2
- Molecular weight
- 320.3
Names & synonyms
CHROMOTROPIC ACIDCHROMOGEN4,5-dihydroxynaphthalene-2,7-disulphonic acidAids000369Aids-000369ChrmotropicacidchromotropicaciChromotopic acidChromotrophic AcidTIMTEC-BB SBB001312
Database identifiers
- CAS
148-25-4- PubChem CID
- 4368945
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 429.2 °C · 429.2°C (rough estimate)
- Density
- 1.7929 · 1.7929 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.51 · -0.51±0.40(Predicted)
- InChI
- InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
- InChIKey
- HLVXFWDLRHCZEI-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(O)=CC(S(O)(=O)=O)=C2)=C(O)C=C1S(O)(=O)=O
- CAS DataBase Reference
- 148 · 148-25-4(CAS DataBase Reference)
- FDA UNII
- 596 OD720M · S596OD720M
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy- (148-25-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
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
- hs_code
- 29089990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesChromotropic acid is used as an analytical reagent and as a coupling component for a wide range of azo dyes, e.g., C.I. Acid Violet 6, C. I. Mordant Blue 13, and C.I. Direct Blue 84.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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