Dichloroacetic acid-d2

Base Information

• Chemical Name: Dichloroacetic acid-d2
• CAS No.: 63403-57-6
• Molecular Formula: C2Cl2D2O2
• Molecular Weight: 130.95
• European Community (EC) Number: 685-797-9
• DSSTox Substance ID: DTXSID80583846
• Wikidata: Q82475447
• Mol file: 63403-57-6.mol

Synonyms:Dichloroacetic acid-d2;63403-57-6;deuterio 2,2-dichloro-2-deuterioacetate;Acetic-dacid-d,dichloro-(9ci);SCHEMBL1332060;dichloro(?H)ethan(?H)oic acid;Dichloro(~2~H_2_)acetic acid;DTXSID80583846;Dichloroacetic acid-d2, 98 atom % D;D99682

Chemical Property of Dichloroacetic acid-d2

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Melting Point: 9-11 °C(lit.)
• Refractive Index: n20/D 1.4663(lit.)
• Boiling Point: 194 °C at 760 mmHg
• Flash Point: 75.6 °C
• PSA: 37.30000
• Density: 1.65 g/cm³
• LogP: 0.87470
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.9557382
• Heavy Atom Count: 6
• Complexity: 60.6

Purity/Quality:

99% ^*data from raw suppliers

Dichloroacetic acid-d2 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C，N
• Hazard Codes: C,N
• Statements: 35-50
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)(Cl)Cl
• Isomeric SMILES: [2H]C(C(=O)O[2H])(Cl)Cl
• Uses: Dichloroacetic Acid-d2 (CAS# 63403-57-6) is a useful isotopically labeled research compound.