Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, ethyl ester
• CAS No.: 57857-81-5
• Molecular Formula: C₁₁H₁₁ClO₅
• Molecular Weight: 258.658
• DSSTox Substance ID: DTXSID50423785
• Nikkaji Number: J409.535I
• Wikidata: Q82236076

Synonyms:Ethyl chlorohematommate;Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, ethyl ester;57857-81-5;DTXSID50423785;QWBSIYICLWCIDS-UHFFFAOYSA-N;Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate

Chemical Property of Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, ethyl ester

Chemical Property:

• Melting Point: 100-101 °C
• Boiling Point: 327.7±42.0 °C(Predicted)
• PSA: 83.83000
• Density: 1.432±0.06 g/cm3(Predicted)
• LogP: 2.04880
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.0295011
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(C(=C1O)C=O)O)Cl)C

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