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2,4-Dichlorobenzoic-d3 Acid

CAT: 1459-CS-C-00524Size: 1 EachDry Ice: NoHazardous: No
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Description
2,4-Dichlorobenzoic-d3 Acid is listed under Deuterated Reagents and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Furosemide. The product is supplied by Clearsynth under CAT No. CS-C-00524. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1398065-99-0
Synonyms
2,4-Dichlorobenzoic-d3 Acid
Molecular Formula
C 7 HD 3 Cl 2 O 2
Molecular Weight
194.03
Additionnal Information
2,4-Dichlorobenzoic-d3 Acid is supplied with detailed characterization data compliant with regulatory guideline. 2,4-Dichlorobenzoic-d3 Acid can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Furosemide.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

2,4-Dichlorobenzoic-D3 acid
CAS Number1398065-99-0
PubChem CID166594783
IUPAC Name2,4-dichloro-3,5,6-trideuteriobenzoic acid
Molecular FormulaC7H4Cl2O2
Molecular Weight194.03
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)O)Cl)[2H])Cl)[2H]
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)/i1D,2D,3D
InChIKey
ATCRIUVQKHMXSH-CBYSEHNBSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichlorobenzoic-D3 acid
CAS: 1398065-99-0
CID: 166594783
Formula: C7H4Cl2O2
MW: 194.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.03
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass192.9776650
Monoisotopic Mass192.9776650
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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