1,6-Naphthalenedisulfonic acid
Basic information
- CAS
525-37-1- Standard SMILES
O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1- InChIKey
HEWDOWUUTBCVJP-UHFFFAOYSA-N- Molecular formula
- C10H8O6S2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 287.97623032
Overview
Naphthalene-1,6-disulfonic acid is a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- 1,6-Naphthalenedisulfonic acid
- IUPAC
- naphthalene-1,6-disulfonic acid
- English name
- 1,6-Naphthalenedisulfonic acid
- Molecular formula
- C10H8O6S2
- Molecular weight
- 288.3
Names & synonyms
NAPHTHALENE-1,6-DISULFONIC ACID525-37-11,6-Naphthalenedisulfonic acidEwer-Pick acidF478O0CKYGN-1,6-DsaCHEBI:30891DTXSID80200501RefChem:164608DTXCID40122992610-859-9UNII-F478O0CKYG
Show more names
1,6-Naphthalenedisulfonic acid, 98.0%1,6-NaphthalenedisulfonicacidChemicalbook
Naphthalene-1,6-disulfonicacidnaphthalene-1,6-disulphonic acidSCHEMBL429785SCHEMBL4904953SCHEMBL6597055SCHEMBL6630342SCHEMBL6631111SCHEMBL6631883
Database identifiers
- CAS
525-37-1- PubChem CID
- 10676
- DTXSID
DTXSID80200501- ChEBI
CHEBI:30891- UNII
- F478O0CKYG
- EC Number
- 610-859-9
- Nikkaji
- J6.649D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 125 °C · 125°C (rough estimate)
- Boiling point
- 400.53 °C · 400.53°C (rough estimate)
- Density
- 1.6867 · 1.6867 (rough estimate)
- refractive index
- 1.563 · 1.5630 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.17 · -0.17±0.40(Predicted)
- FDA UNII
- 478 O0CKYG · F478O0CKYG
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- RIDADR
- 1759 · 1759
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2904100090 · 2904100090
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,6-Naphthalenedisulphonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 1759
- hs_code
- 2904100090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesAlkali fusion of 1,6-Naphthalenedisulfonic acid yields 1,6-dihydroxynaphthalene, and sulfonation with oleum produces naphthalene-1,3,6-trisulfonic acid. However, the main outlet for naphthalene-1,6-disulfonic acid is via nitration to 1- nitronaphthalene-3,8-disulfonic acid, which is the intermediate for 1-aminonaphthalene-3,8- disulfonic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Naphthalene-1,6-disulfonic acid is a naphthalenesulfonic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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