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Diisobutyl Phthalate-d4

CAT: 1459-CS-T-53276Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-53276Size:1 Each
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Description
Diisobutyl Phthalate-d4 is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Diisobutyl Phthalate. The product is supplied by Clearsynth under CAT No. CS-T-53276. 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
358730-88-8
Synonyms
Diisobutyl Phthalate-d4
Molecular Formula
C 16 H 18 D 4 O 4
Molecular Weight
282.37
Additionnal Information
Diisobutyl Phthalate-d4 is supplied with detailed characterization data compliant with regulatory guideline. Diisobutyl Phthalate-d4 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 Diisobutyl Phthalate.
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 accurate information.

Chemical Information

Bis(2-methylpropyl) (~2~H_4_)benzene-1,2-dicarboxylate
CAS Number358730-88-8
PubChem CID71309029
IUPAC Namebis(2-methylpropyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular FormulaC16H22O4
Molecular Weight282.37
XLogP4.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity290
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC(C)C)C(=O)OCC(C)C)[2H])[2H]
InChI
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3/i5D,6D,7D,8D
InChIKey
MGWAVDBGNNKXQV-KDWZCNHSSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-methylpropyl) (~2~H_4_)benzene-1,2-dicarboxylate
CAS: 358730-88-8
CID: 71309029
Formula: C16H22O4
MW: 282.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.37
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass282.17691616
Monoisotopic Mass282.17691616
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity290
Isotope Atom Count4
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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