2,3,5,6-Tetradeuteriobenzene-1,4-dicarbonyl chloride

Base Information

• Chemical Name: 2,3,5,6-Tetradeuteriobenzene-1,4-dicarbonyl chloride
• CAS No.: 129775-07-1
• Molecular Formula: C8Cl2D4O2
• Molecular Weight: 207.05
• European Community (EC) Number: 693-566-9
• DSSTox Substance ID: DTXSID40584374
• Nikkaji Number: J2.439.050K
• Wikidata: Q82476029
• Mol file: 129775-07-1.mol

Synonyms:129775-07-1;2,3,5,6-tetradeuteriobenzene-1,4-dicarbonyl chloride;Terephthaloyl-d4 chloride, 98 atom % D;SCHEMBL1331256;DTXSID40584374;(~2~H_4_)Benzene-1,4-dicarbonyl dichloride

Chemical Property of 2,3,5,6-Tetradeuteriobenzene-1,4-dicarbonyl chloride

Chemical Property:

• Melting Point: 79-81 °C(lit.)
• Boiling Point: 266 °C
• Flash Point: 180 °C
• PSA: 34.14000
• LogP: 2.44460
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9839417
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

TEREPHTHALOYL-D4-CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Cl)C(=O)Cl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C(=O)Cl)[2H])[2H])C(=O)Cl)[2H]

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