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Citric acid-2,2,4,4-d₄ - 98 atom% D, 98% (CP), high purity , CAS No.147664-83-3

COA

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 147664-83-3
Molecular Weight: 196.15
MDL number: MFCD00209702
PubChem CID: 16213286
PubChem SID: 504768222

In stock

Item Number

C472124

Grouped product items
SKU	Size	Availability	Price	Qty
C472124-25mg	25mg	2	$205.90
C472124-100mg	100mg	1	$683.90

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Basic Description

Synonyms	Chemfill-d4 \| Citric-2,2,4,4-d4 acid \| citric acid-d4 \| Citric acid-2,2,4,4-d4, 98 atom % D, 98% (CP) \| 1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid \| J-008383 \| 2-hydroxy((2)H4)propane-1,2,3-tricarboxylic acid \| 2-hydroxy(?H?)propane-1
Specifications & Purity	≥98 atom% D,≥98%
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Citric acid-2,2,4,4-d4 is an isotopic analogue of citric acid . Application： Citric-2,2,4,4-d4 acid can be used to measure citrate in urine and quantitative profiling of organic acid intermediates of citric acid cycle (CAC).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Tricarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tricarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tricarboxylic acids and derivatives
Alternative Parents	Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors	tertiary alcohol - tricarboxylic acid - deuterated compound
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504768222
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768222
IUPAC Name	1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid
INCHI	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D2,2D2
InChIKey	KRKNYBCHXYNGOX-LNLMKGTHSA-N
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
Alternate CAS	77-92-9(unlabelled)
Molecular Weight	196.15
Reaxy-Rn	782061
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=782061&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
C2414356	Certificate of Analysis	Mar 07, 2024	C472124
C2414358	Certificate of Analysis	Mar 07, 2024	C472124
C2507086	Certificate of Analysis	Mar 07, 2024	C472124
C2414343	Certificate of Analysis	Mar 07, 2024	C472124
C2414357	Certificate of Analysis	Mar 07, 2024	C472124
E2330495	Certificate of Analysis	Apr 26, 2023	C472124
E2330432	Certificate of Analysis	Apr 26, 2023	C472124
E2330431	Certificate of Analysis	Apr 26, 2023	C472124
E2330497	Certificate of Analysis	Apr 26, 2023	C472124

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Sensitivity	Light sensitive；Moisture sensitive
Melt Point(°C)	153-159 °C (lit.)
Molecular Weight	196.150 g/mol
XLogP3	-1.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	196.052 Da
Monoisotopic Mass	196.052 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227.000
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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