Basic information
- CAS
117-59-9- Standard SMILES
O=S(=O)(O)c1cccc2c(O)cccc12- InChIKey
YLKCHWCYYNKADS-UHFFFAOYSA-N- Molecular formula
- C10H8O4S
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.01432991
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 5-hydroxy-
- IUPAC
- 5-hydroxynaphthalene-1-sulfonic acid
- English name
- 1-Naphthol-5-sulfonic acid
- Molecular formula
- C10H8O4S
- Molecular weight
- 224.23
Names & synonyms
Show more names
Database identifiers
- CAS
117-59-9- PubChem CID
- 67025
- DTXSID
DTXSID0059459- UNII
- D52SG5GP79
- EC Number
- 204-199-7
- Nikkaji
- J95.585J
Properties
Computed structural properties
- XLogP
- 0.9
- 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
Physicochemical properties
- Melting point
- 110 · 110~112℃
- Density
- 1.549 · 1.549±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.26 · 0.26±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)
- InChIKey
- YLKCHWCYYNKADS-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C(O)=CC=C2)=CC=C1
- CAS DataBase Reference
- 117 · 117-59-9(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 5-hydroxy- (117-59-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 94.9% (37 of 39) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 37 of 39 companies (only 5.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 37 of 39 reports by companies.;There are 2 notifications provided by 2 of 39 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses1-Naphthol-5-sulfonic acid is used to prepare dyes and organic pigments, such as direct dark blue L, pigment purple sauce BLC, lake purple red CK, etc. It is also used to prepare photoresist sensitizer 215.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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