Citric acid-2,2,4,4-d4

Base Information

• Chemical Name: Citric acid-2,2,4,4-d4
• CAS No.: 147664-83-3
• Molecular Formula: C6H4 D4 O7
• Molecular Weight: 196.15
• European Community (EC) Number: 689-489-5
• DSSTox Substance ID: DTXSID20583845
• Wikidata: Q27145700
• Mol file: 147664-83-3.mol

Synonyms:Citric acid-2,2,4,4-d4;147664-83-3;citric acid-d4;1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid;1,2,3-Propane-1,1,3,3-d4-tricarboxylic acid, 2-hydroxy- (9CI);Chemfill-d4;2-Hydroxy-1,2,3-propanetricarboxylic-d4 Acid;Citric-2,2,4,4-d4 acid;SCHEMBL1331787;CHEBI:76049;HY-N1428S;DTXSID20583845;AKOS030241841;MS-23059;CS-0226167;D99582;2-hydroxy(?H?)propane-1,2,3-tricarboxylic acid;2-hydroxy((2)H4)propane-1,2,3-tricarboxylic acid;J-008383;2-Hydroxy(~2~H_4_)propane-1,2,3-tricarboxylic acid;Q27145700;Citric acid-2,2,4,4-d4, 98 atom % D, 98% (CP)

Chemical Property of Citric acid-2,2,4,4-d4

Chemical Property:

• Vapor Pressure: 5.73E-05mmHg at 25°C
• Melting Point: 153-159 °C(lit.)
• Refractive Index: 1.575
• Boiling Point: 309.6°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 132.13000
• Density: 1.799g/cm³
• LogP: -1.24850
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 196.05210957
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

NLT 98% ^*data from raw suppliers

Citric Acid-2,2,4,4-d4 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: [2H]C([2H])(C(=O)O)C(C(=O)O)(C([2H])([2H])C(=O)O)O
• Uses: Widely distributed in plants and in animal tissues and fluids, Citric Acid-2,2,4,4-d4 can be produced by mycological fermentation on an industrial scale using crude sugar solutions, such as molasses and strains of Aspergillus niger.;Labeled Citric Acid, intended for use as an internal Widely distributed in plants and in animal tissues and fluids. Produced by mycological fermentation on an industrial scale using crude sugar solutions, such as molasses and strains of Aspergillus niger.