4-Chlorobenzoic Acid-d4

Base Information

• Chemical Name: 4-Chlorobenzoic Acid-d4
• CAS No.: 85577-25-9
• Molecular Formula: ClC6D4COOH
• Molecular Weight: 160.59
• DSSTox Substance ID: DTXSID301006147
• Wikidata: Q83001784
• Mol file: 85577-25-9.mol

Synonyms:4-Chlorobenzoic Acid-d4;85577-25-9;4-Chlorobenzoic-d4 Acid;4-Chloro-2,3,5,6-tetradeuteriobenzoic acid;4-chloro(?H?)benzoic acid;DTXSID301006147;4-Chloro(~2~H_4_)benzoic acid;HY-W440240;CS-0435132;D98502

Chemical Property of 4-Chlorobenzoic Acid-d4

Chemical Property:

• PSA: 37.30000
• LogP: 2.03820
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0229141
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

95% by HPLC; 98% atom D ^*data from raw suppliers

4-Chlorobenzoic Acid-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)Cl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])Cl)[2H]
• Uses: 4-Chlorobenzoic-d4 Acid is a benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioassays. It is used as a preservative.

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