Basic information
- CAS
135-51-3- Standard SMILES
O=S(=O)([O-])c1ccc2cc(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]- InChIKey
VNEBWJSWMVTSHK-UHFFFAOYSA-L- Molecular formula
- C10H6Na2O7S2
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 347.93503344
Names & identifiers
- Preferred name
- 2-Naphthol-3,6-disulfonic acid disodium salt
- IUPAC
- disodium;3-hydroxynaphthalene-2,7-disulfonate
- English name
- Disodium 2-naphthol-3,6-disulfonate
- Molecular formula
- C10H9NaO7S2
- Molecular weight
- 328.28
Names & synonyms
135-51-3R saltDisodium 2-naphthol-3,6-disulfonatedisodium 3-hydroxynaphthalene-2,7-disulfonateFericonFerricon2-Naphthol-3,6-disulfonic acid disodium saltDTXSID80445436Y99O91ULZ2-Naphthol-3,6-disulfonic acid, disodium saltDTXCID6024543NSC-5872
Show more names
R ACIDRGAcidBETA-NAPHTHOL-3,R-ACID SODIUM SALTR ACID DISODIUM SALTDisodium 2-naphthol-Ponceau 4R Impurity 32-naphthol-3,6-disulfonic
RefChem:599094205-196-3Sodium 3-hydroxynaphthalene-2,7-disulfonate3-Hydroxynaphthalene-2,7-disulfonic acid disodium saltDisodium 3-hydroxy-2,7-naphthalenedisulfonate3-Hydroxy-2,7-naphthalenedisulfonic acid disodium saltDisodium 2-hydroxy-3,6-naphthalene disulfonate3-hydroxy-2,7-naphthalenedisulfonic acid, disodium salt
Database identifiers
- CAS
135-51-3- PubChem CID
- 8673
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthols
Physical Description
Dry Powder
White powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
- form
- powder to crystal
- color
- White to Gray to Brown
- BRN
- 3643184 · 3643184
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C10H8O7S2.Na.H/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;
- InChIKey
- VNEBWJSWMVTSHK-UHFFFAOYSA-L
- SMILES
- S(C1C(=CC2=CC=C(S(O)(=O)=O)C=C2C=1)O)(O)(=O)=O.[NaH]
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
This chemical does not meet GHS hazard criteria for 14.3% (7 of 49) of reports.
Warning
H315 (83.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2,7-Naphthalenedisulfonic acid, 3-hydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,7-Naphthalenedisulfonic acid, 3-hydroxy-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Disodium 3-hydroxynaphthalene-2,7-disulphonate (EC: 205-196-3)
Hazards Summary
Mydriasis observed in 28-day oral study of rats at 1,000 mg/kg/day; No effects observed on urinalysis, hematology, blood chemistry, or pathology; [JECDB] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Naphthol-6,8-disulfonic acid, dipotassium salt.
Hazard Classes and CategoriesSkin Irrit. 2 (83.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ6477000
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 50,000 - <250,000 lb
Industry UsesDye
General Manufacturing Information
Food, beverage, and tobacco product manufacturing
2,7-Naphthalenedisulfonic acid, 3-hydroxy-, sodium salt (1:2): ACTIVE
Applications
Uses3-Hydroxynaphthalene-2,7-disulfonic Acid Disodium Salt, is used in analytical studies for detecting organic explosives and propellants by fast liquid chromatography quadrupole time-of-flight mass spectrometry.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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