Mucochloric acid

Base Information

• Chemical Name: Mucochloric acid
• CAS No.: 87-56-9
• Molecular Formula: C4H2 Cl2 O3
• Molecular Weight: 168.964
• Hs Code.: 2918.30
• European Community (EC) Number: 201-752-4
• NSC Number: 244774,56325,35058,15905
• UNII: 5I5877JHIW
• DSSTox Substance ID: DTXSID7020423
• Nikkaji Number: J3.902K
• Wikidata: Q1951666
• ChEMBL ID: CHEMBL1879926
• Mol file: 87-56-9.mol

Synonyms:mucochloric acid

Chemical Property of Mucochloric acid

Chemical Property:

• Appearance/Colour: yellowish liquid
• Vapor Pressure: 0.00186mmHg at 25°C
• Melting Point: 124 - 128 C
• Refractive Index: 1.4730 (estimate)
• Boiling Point: 271 °C at 760 mmHg
• PKA: 0.28±0.44(Predicted)
• Flash Point: 186 C
• PSA: 54.37000
• Density: 1.648 g/cm³
• LogP: 0.95910
• Storage Temp.: Store below +30°C.
• Solubility.: 27g/l
• Water Solubility.: SOLUBLE IN HOT WATER
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.9380993
• Heavy Atom Count: 9
• Complexity: 173

Purity/Quality:

Mucochloric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 8 (Packing Group: II) UN NO.
• Hazard Codes: T,C
• Statements: 25-34-37-42/43
• Safety Statements: 26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=O)C(=C(C(=O)O)Cl)Cl
• Isomeric SMILES: C(=O)/C(=C(\C(=O)O)/Cl)/Cl
• Uses: Mucochloric Acid is an intermediate product of the herbicide Burex that can cause poisioning and skin damage upon exposure. Mucochloric Acid is also a chlorine disinfection byproduct in drinking water with mutagenic activity.

Technology Process of Mucochloric acid

There total 10 articles about Mucochloric 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:

1,2-dichloro-benzene (95-50-1) → mucochloric acid (87-56-9)

Guidance literature:

With ozone; at 20 ℃;

DOI:10.1016/j.cattod.2020.06.025

Reference yield:

furfural (98-01-1) → mucochloric acid (87-56-9)

Guidance literature:

With hydrogenchloride; chlorine; at 70 ℃;

Reference yield:

→ mucochloric acid (87-56-9) + cis-2,3-dichlorobutenedioic acid (608-42-4)

Guidance literature:

With nitric acid;

upstream raw materials:

furfural

2-furanoic acid

nitric acid

3,4-dichloro-5H-furan-2-one

Downstream raw materials:

3,4-dichloro-5-methoxy-2-(5H)furanone

3-chloro-2-(4-methoxy-phenoxy)-4-oxo-crotonic acid

3,4-dichloro-5-(2-oxo-2-phenethyl)-5H-furan-2-one

2,3-dichloro-4-oxo-cis-crotonic acid benzyl ester