2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-

Base Information

• Chemical Name: 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-
• CAS No.: 117-46-4
• Deprecated CAS: 1427309-20-3
• Molecular Formula: C17H13NO8S2
• Molecular Weight: 423.424
• Hs Code.: 2924299090
• European Community (EC) Number: 204-192-9
• NSC Number: 16169
• DSSTox Substance ID: DTXSID0059457
• Nikkaji Number: J5.288D
• Wikidata: Q81988806
• Metabolomics Workbench ID: 123503
• ChEMBL ID: CHEMBL145352
• Mol file: 117-46-4.mol

Synonyms:117-46-4;H Acid, N-benzoyl-;2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-;4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid;N-Benzoyl H acid;EINECS 204-192-9;NSC 16169;4-(Benzoylamino)-5-hydroxynaphthalene-2,7-disulphonic acid;N-BenzoylH acid;NSC16169;2, 4-benzamido-5-hydroxy-;N-Benzoyl H Acid, Free Acid;CHEMBL145352;SCHEMBL1413131;DTXSID0059457;2, 4-(benzoylamino)-5-hydroxy-;NSC-16169;FT-0744971;W-108564;4-benzamido-5-hydroxy-naphthalene-2,7-disulfonic acid;2,7-Naphthalenedisulfonic acid, 4-benzamido-5-hydroxy-;2,7-Naphthalenedisulfonicacid,4-(benzoylamino)-5-hydroxy-

Chemical Property of 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-

Chemical Property:

• Refractive Index: 1.742
• PSA: 174.83000
• Density: 1.718 g/cm³
• LogP: 4.52570
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 423.00825872
• Heavy Atom Count: 28
• Complexity: 779

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(BENZOYLAMINO)-5-HYDROXY-7-NAPHTHALENEDISULPHONIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Technology Process of 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-

There total 1 articles about 2,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy- 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:

→ 1-hydroxy-8-benzoylamino-naphthalene-3,6-disulphonic acid (117-46-4)

Guidance literature:

Reference yield:

1-hydroxy-8-benzoylamino-naphthalene-3,6-disulphonic acid (117-46-4) + C29H19N3O9S2 → C46H25N5O17S4(4-)*4Na(1+)

Guidance literature:

C₂₉H₁₉N₃O₉S₂; With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃; for 1h;

1-hydroxy-8-benzoylamino-naphthalene-3,6-disulphonic acid; With sodium hydroxide; In water; at 0 - 20 ℃; for 4h; pH=5 - 8;

Reference yield:

1-hydroxy-8-benzoylamino-naphthalene-3,6-disulphonic acid (117-46-4) → 9-amino-2-phenyl-naphtho[2,1-d]oxazole-4,7-disulfonic acid

Guidance literature:

Multistep reaction; (i) 3-diazonio-benzenesulfonate, (ii) aq. Na₂S₂O₄, Na₂CO₃, (iii) SnCl₂*2H₂O, aq. HCl;

Refernces

• 1、 -. "Fiber reactive phthalimidylazo dyes and use thereof". . . Retrieved 2008/06/13.
• 2、 -. "4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs". . . Retrieved 2008/06/13.