2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-

Base Information

• Chemical Name: 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-
• CAS No.: 119-77-7
• Molecular Formula: C17H14 N2 O5 S
• Molecular Weight: 358.375
• Hs Code.: 2924299090
• European Community (EC) Number: 204-350-7
• NSC Number: 37178,1742
• UNII: 4B2M4HX3E2
• DSSTox Substance ID: DTXSID1059496
• Nikkaji Number: J53.395E
• Wikidata: Q81988831
• ChEMBL ID: CHEMBL1716365
• Mol file: 119-77-7.mol

Synonyms:p-Aminobenzoyl I Acid;119-77-7;p-Aminobenzoyl J Acid;PAB J Acid;7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid;2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-;MLS002637585;4B2M4HX3E2;7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid;7-(p-Aminobenzamido)-4-hydroxy-2-naphthalenesulfonic acid;NSC 1742;NSC-1742;EINECS 204-350-7;7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulphonic acid;SMR000393908;2-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-4-hydroxy-;2-Naphthalenesulfonic acid, 7-(p-aminobenzamido)-4-hydroxy-;UNII-4B2M4HX3E2;cid_67074;SCHEMBL2184239;CHEMBL1716365;DTXSID1059496;BDBM83185;NSC1742;HMS3091F23;NSC37178;NSC-37178;1-Hydroxy-6-(4-aminobenzoylamino)-3-naphthalenesulfonic acid;7-(P-AMINOBENZAMIDO)-4-HYDROXY-2-NAPHTHALENESULPHONIC ACID;7-[(4-aminobenzoyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid;2-NAPHTHALENESULPHONIC ACID, 7-((4-AMINOBENZOYL)AMINO)-4-HYDROXY-;7-((4-AMINOBENZOYL)AMINO)-4-HYDROXY-2-NAPHTHALENESULFONIC ACID;7-[(4-aminophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid;7-[[(4-aminophenyl)-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid

Chemical Property of 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 138.10000
• Density: 1.586g/cm³
• LogP: 4.36160
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 358.06234272
• Heavy Atom Count: 25
• Complexity: 582

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)N

Technology Process of 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-

There total 5 articles about 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-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:

NSC 37170 (132-88-7) → 7-[4-aminobenzamido]-4-hydroxynaphthalene-2-sulfonic acid (119-77-7)

Guidance literature:

With iron; acetic acid;

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 7-[4-aminobenzamido]-4-hydroxynaphthalene-2-sulfonic acid (119-77-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water; sodium acetate

2: iron; acetic acid

With water; sodium acetate; iron; acetic acid;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 7-(4-sulfoamino-benzoylamino)-4-hydroxy-naphthalene-2-sulfonic acid → 7-[4-aminobenzamido]-4-hydroxynaphthalene-2-sulfonic acid (119-77-7)

Guidance literature:

upstream raw materials:

NSC 37170

hydrogenchloride

acetic acid

4-nitro-benzoyl chloride

Downstream raw materials:

C₂₄H₂₅N₇O₇S

Refernces

• 1、 -. "Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge". . . Retrieved 2008/06/13.