Basic information
- CAS
93-01-6- Standard SMILES
O=S(=O)(O)c1ccc2cc(O)ccc2c1- InChIKey
VVPHSMHEYVOVLH-UHFFFAOYSA-N- Molecular formula
- C10H8O4S
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.01432991
Overview
RN given refers to parent cpd; structure in Merck Index, 9th ed, #6219
Names & identifiers
- Preferred name
- 2-Naphthol-6-sulfonic acid
- IUPAC
- 6-hydroxynaphthalene-2-sulfonic acid
- English name
- 6-Hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C10H8O4S
- Molecular weight
- 224.23
Names & synonyms
93-01-62-Naphthol-6-sulfonic acid2-Naphthalenesulfonic acid, 6-hydroxy-Schaeffer's acid2-Hydroxy-6-naphthalenesulfonic acid6-HYDROXY-2-NAPHTHALENESULFONIC ACIDbeta-Naphthol-6-sulfonic acidSchaeffer's beta-naphtholsulfonic acidO937I7N48VNSC-5871RefChem:477109202-209-4
Show more names
Baum's acidSchafferacidScheffers acidSCHAEFFER ACIDSCHAFFER'S SALTSchaffer`s acidSCHAEFFER'S SALT
6-hydroxynaphthalene-2-sulfonic acid6-Hydroxynaphthalene-2-sulphonic acid2-Naphtol-6-sulfosaure2-Napthol-6-sulfonic acid.beta.-Naphthol-6-sulfonic acidSchaeffer's .beta.-acidSchaeffer's .beta.-naphtholsulfonic acidSCHAFFER'S ACID
Database identifiers
- CAS
93-01-6- PubChem CID
- 7117
- DTXSID
DTXSID2047014- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
Melting Point125 °C
Collision Cross Section148.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7029166]
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 335.63 °C · 335.63°C (rough estimate)
- Density
- 1.4643 · 1.4643 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 0.41 · 0.41±0.40(Predicted)
- CAS DataBase Reference
- 93 · 93-01-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 937 I7N48V · O937I7N48V
- NIST Chemistry Reference
- 2 · 2-Naphthalenesulfonic acid, 6-hydroxy-(93-01-6)
- EPA Substance Registry System
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 1.3% (2 of 150) of reports.
Danger
H314 (26%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 6-hydroxy-
REACH registered substance: 6-hydroxynaphthalene-2-sulphonic acid (EC: 202-209-4)
2-Naphthalenesulfonic acid, 6-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (26%)
Safety & protection
Protective Action Criteria (PAC)
0.54 [mg/m3]
6.0 [mg/m3]
36 [mg/m3]
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 6-hydroxy-: ACTIVE
Applications
Uses2-Hydroxynaphthalene-6-sulfonic acid is used as a coupling component for a wide range of azo dyes, e.g., C.I. Acid Orange 12, C.I. Food Yellow 3, and C.I. Food Orange 2. It is also used as an intermediate for more highly substituted dye components and synthetic tanning agents. The 1-nitroso derivative forms an iron complex (C.I. Acid Green 1) which was formerly used as a wool dye.
Preparation methods
Preparation2-Naphthol is added to a mixture of sulfuric acid and sodium sulfate, and the reaction is continued at 90 C for 12 h. After pouring the reaction mixture into water, the sodium salt of the product is precipitated by addition of salt and filtered at 60℃ to separate the isomers.
Upstream & downstream products
Downstream products
Related reactions
7 records
Compound notes
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