Basic information
- CAS
85-85-8- Standard SMILES
Oc1ccc2ccccc2c1N=Nc1ccccn1- InChIKey
LLYOXZQVOKALCD-UHFFFAOYSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Names & identifiers
- Preferred name
- 1-(2-Pyridylazo)-2-naphthol
- IUPAC
- 1-(pyridin-2-yldiazenyl)naphthalen-2-ol
- English name
- 1-(2-Pyridylazo)-2-naphthol
- Molecular formula
- C15H11N3O
- Molecular weight
- 249.27
Names & synonyms
1-(2-Pyridylazo)-2-naphthol85-85-81-(Pyridin-2-yldiazenyl)naphthalen-2-olPAN (indicator)2-Naphthalenol, 1-(2-pyridinylazo)-2-Naphthol, 1-(2-pyridylazo)-1-(2-Pyridylazo)-2-hydroxynaphthalene2-Hydroxy-1-(2-pyridylazo)naphthalene1-(Pyridin-2-azo)-2-naphthol1-(pyridin-2-yldiazenyl)-2-naphtholMLS000540127095B53Y3XV
Show more names
PANHpan1-(2-pyridinylazo)-2-naphthalenoADGFO-PANUSP52PAN-2IDGFLSNEDSVAIHS
NSC-5332MFCD00004071SMR0001624021-[(1E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol1-(2-pyridyldiazenyl)naphthalen-2-olPAN (VAN)UNII-095B53Y3XVNSC 5332
Database identifiers
- CAS
85-85-8- PubChem CID
- 6825
- DTXSID
DTXSID5058933- ChEMBL
CHEMBL1400298- ChEBI
CHEBI:194272- UNII
- 095B53Y3XV
- Nikkaji
- J4.928J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 138 · 138-141 °C (lit.)
- Boiling point
- 392.37 °C · 392.37°C (rough estimate)
- Density
- 1.1469 · 1.1469 (rough estimate)
- bulk density
- 190 kg/m3 · 190kg/m3
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- pka
- 8.86 · 8.86±0.50(Predicted)
- form
- Powder/Solid
- color
- green to red, upon chelation with metal
- Water Solubility
- Insoluble
- λmax
- 461 · 461-465 nm in ethanol
- ε(extinction coefficient)
- 15000 at · ≥15000 at 462-468nm in methanol at 0.01g/L>35,000 at 222-228nm in methanol at 0.01g/L>9,000 at 300-306nm in methanol at 0.01g/L
- BRN
- 206390 · 206390
- Stability
- Stable. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10H,(H,16,17)/b18-15-
- InChIKey
- RAXUMGMWXZYADR-SDXDJHTJSA-N
- SMILES
- N(\N=C2\c3c(cccc3)C=CC\2=O)c1ncccc1
- CAS DataBase Reference
- 85 · 85-85-8(CAS DataBase Reference)
- FDA UNII
- 95 B53Y3XV · 095B53Y3XV
- NIST Chemistry Reference
- 2 · 2-Naphthalenol, 1-(2-pyridinylazo)-(85-85-8)
- EPA Substance Registry System
- 2 · 2-Naphthalenol, 1-(2-pyridinylazo)- (85-85-8)
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 21 · NB.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses1-(2-Pyridylazo)-2-naphthol is an indicator of transition metals. 1-(2-Pyridylazo)-2-naphthol is an indicator in complexometry and a reagent for the extraction and spectrophotometric determination of many transition metals. Dyes and metabolites.
Uses1-(2-Pyridylazo)-2-naphthol is an indicator of transition metals. 1-(2-Pyridylazo)-2-naphthol is an indicator in complexometry and a reagent for the extraction and spectrophotometric determination of many transition metals. Dyes and metabolites.
General Description1-(2-Pyridylazo)-2-naphthol (PAN), an orange colored dye, is commonly used as an acid-base indicator. It can form chelates with metal ions, which makes it a valuable indicator in complexometric titrations. PAN is also a spectrophotometric reagent, which can extract metal chelates into an organic solvent.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 1-(2-pyridin-2-yldiazenyl)-2-naphthol is a member of naphthols.
Related reactions
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Compound notes
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