1-Naphthyl sulfate

Base Information

• Chemical Name: 1-Naphthyl sulfate
• CAS No.: 3197-94-2
• Molecular Formula: C10H8 O4 S
• Molecular Weight: 224.237
• Hs Code.: 2906299090
• UNII: 20A00650AX
• DSSTox Substance ID: DTXSID40953864
• Nikkaji Number: J391.072E
• Wikidata: Q27253451
• Mol file: 3197-94-2.mol

Synonyms:1-naphthol sulfate ester;1-naphthyl sulfate;naphthyl sulfate;naphthyl sulfate, barium salt;naphthyl sulfate, potassium salt;naphthyl sulphate

Chemical Property of 1-Naphthyl sulfate

Chemical Property:

• Vapor Pressure: 1.01E-11mmHg at 25°C
• Boiling Point: °Cat760mmHg
• PKA: -4.02±0.18(Predicted)
• Flash Point: °C
• PSA: 71.98000
• Density: 1.499g/cm³
• LogP: 3.10220
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.01432991
• Heavy Atom Count: 15
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)O

Technology Process of 1-Naphthyl sulfate

There total 2 articles about 1-Naphthyl sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

11-oxido-1,6-methano<10>annulene (4759-11-9) → α-naphthol (90-15-3) + 1-naphthol-2-sulfonic acid (567-18-0) + 1-hydroxy-4-naphthalenesulfonate (84-87-7) + 1-Naphthol sulfate (3197-94-2)

Guidance literature:

With sulfur trioxide; In 1,4-dioxane; dichloromethane; at 0 ℃; for 3.88889h; Product distribution; Mechanism; various temperatures, various reaction times; different molar eqiv of SO3; also without methylene chloride; other bridged <10>annulenes;

DOI:10.1021/jo00363a030

Reference yield:

α-naphthol (90-15-3) → 1-naphthol-2-sulfonic acid (567-18-0) + 1-hydroxy-4-naphthalenesulfonate (84-87-7) + 1-Naphthol sulfate (3197-94-2) + 4-hydroxy-naphthalene-1,3-disulfonic acid (1857-16-5) + 4-sulfo-1-naphthyl hydrogen sulfate (102234-08-2)

Guidance literature:

With sulfur trioxide; In 1,4-dioxane; at 15 ℃; for 0.166667h; Product distribution; various temperatures, various reaction times; different molar eqiv of SO₃; also with methylene chloride; also 1-aminonaphthalene;

DOI:10.1021/jo00363a030

upstream raw materials:

11-oxido-1,6-methano<10>annulene

α-naphthol

Refernces