1-Phenanthrenesulfonic acid

Base Information

• Chemical Name: 1-Phenanthrenesulfonic acid
• CAS No.: 41105-39-9
• Molecular Formula: C14H10O3S
• Molecular Weight: 258.29200
• DSSTox Substance ID: DTXSID601310222
• Nikkaji Number: J89.398F
• Mol file: 41105-39-9.mol

Synonyms:1-Phenanthrenesulfonic acid;41105-39-9;Phenanthrensulfosaure;SCHEMBL660151;DTXSID601310222

Chemical Property of 1-Phenanthrenesulfonic acid

Chemical Property:

• PSA: 62.75000
• LogP: 4.32050
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 258.03506535
• Heavy Atom Count: 18
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC=C3S(=O)(=O)O

Technology Process of 1-Phenanthrenesulfonic acid

There total 4 articles about 1-Phenanthrenesulfonic acid 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:

phenanthrene (85-01-8) → phenanthrene-9-sulfonic acid (572-51-0) + phenanthrene-2-sulfonic acid (41105-40-2) + phenanthrene-3-sulfonic acid (2039-95-4) + phenanthrene-1-sulfonic acid (41105-39-9)

Guidance literature:

With sulfur trioxide; In nitromethane; at 0 ℃; for 2.5h; Product distribution; var. bromo- and mono- polimethylphenanthrenes, and 4,5-ethanophenanthrene;

DOI:10.1021/jo00142a014

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + phenanthrene (85-01-8) + sulfur trioxide (7446-11-9) → phenanthrene-9-sulfonic acid (572-51-0) + phenanthrene-2-sulfonic acid (41105-40-2) + phenanthrene-3-sulfonic acid (2039-95-4) + phenanthrene-1-sulfonic acid (41105-39-9)

Guidance literature:

at 0 - 60 ℃;

DOI:10.1021/jo01363a031

Reference yield:

phenanthrene (85-01-8) → phenanthrene-1-sulfonic acid (41105-39-9)

Guidance literature:

With sulfuric acid; at 60 ℃;

upstream raw materials:

phenanthrene

1,4-dioxane

sulfur trioxide

sulfuric acid

Downstream raw materials:

4-Amino-1-oxy-phenanthren

1,4-diacetoxy-phenanthrene

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