CID 16211638

Base Information

• Chemical Name: CID 16211638
• CAS No.: 56047-23-5
• Deprecated CAS: 1189979-14-3
• Molecular Formula: C8H5 Cl O4 . Na
• Molecular Weight: 222.56
• Hs Code.: 2917399090
• European Community (EC) Number: 259-963-2
• Mol file: 56047-23-5.mol

Synonyms:sodium 2-carboxy-4-chlorobenzoate;56047-23-5;SCHEMBL653746

Chemical Property of CID 16211638

Chemical Property:

• Appearance/Colour: white to light tan powder.
• Vapor Pressure: 4.22E-07mmHg at 25°C
• Boiling Point: 399.5 °C at 760 mmHg
• Flash Point: 195.4 °C
• PSA: 77.43000
• Density: g/cm³
• LogP: 0.40170
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.9774056
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

99.9% ^*data from raw suppliers

Sodium Hydrogen 4-Chlorophthalate (contains isomer and Phthalic Acid) >70.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O.[Na]

Technology Process of CID 16211638

There total 1 articles about CID 16211638 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:

phthalic anhydride (85-44-9) → monosodique de l'acide chloro-4 phtalique (56047-23-5)

Guidance literature:

phthalic anhydride; With sodium chlorate; sodium hydroxide; In water; at 28 - 30 ℃; for 17h;

With hydrogenchloride; In water; at 30 ℃; pH=Ca. 5.5;

Reference yield: 70.0%

monosodique de l'acide chloro-4 phtalique (56047-23-5) → 4-chlorophthalic anhydride (118-45-6)

Guidance literature:

With thionyl chloride; for 2h; Heating;

Reference yield: 62.0%

ethanol (64-17-5) + monosodique de l'acide chloro-4 phtalique (56047-23-5) → 4-chlorodiethylphthalate (38717-95-2)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 48h;

upstream raw materials:

phthalic anhydride

Downstream raw materials:

4-chlorophthalic anhydride

4-chlorodiethylphthalate

4-chlorophthalimide

4-chlorophthalic acid