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1,4-Benzenedimethanol-d4

CAT: 0804-HY-W015784S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015784S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,4-Benzenedimethanol-d4 is the deuterium labeled 1,4-Benzenedimethanol[1].
CAS Number
1158734-28-1
Product Name Alternative
α, α'-Dihydroxy-p-xylene-d4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
10 mM in DMSO
Smiles
[2H]C1=C(CO)C([2H])=C([2H])C(CO)=C1[2H]
Molecular Formula
C8H6D4O2
Molecular Weight
142.19
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1,4-Di(hydroxymethyl)benzene-d4
CAS Number1158734-28-1
PubChem CID12411005
IUPAC Name[2,3,5,6-tetradeuterio-4-(hydroxymethyl)phenyl]methanol
Molecular FormulaC8H10O2
Molecular Weight142.19
XLogP0.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity73
SMILES
[2H]C1=C(C(=C(C(=C1CO)[2H])[2H])CO)[2H]
InChI
InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2/i1D,2D,3D,4D
InChIKey
BWVAOONFBYYRHY-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Di(hydroxymethyl)benzene-d4
CAS: 1158734-28-1
CID: 12411005
Formula: C8H10O2
MW: 142.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.19
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass142.093186541
Monoisotopic Mass142.093186541
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity73.3
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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Alternative Products

CatalogName
sc-2377421,4-Benzenedimethanol
T06745A, a, a, a-Tetramethyl-1,4-Benzenedimethanol
sc-227176α, α, α', α'-Tetrakis (trifluoromethyl) -1,4-benzenedimethanol
sc-2267084-Methoxy-1,3-benzenedimethanol
JH3936341,3-Benzenedimethanol
sc-2995904,5-Dichloro-1,2-benzenedimethanol
sc-2558921,2-Benzenedimethanol
PC1001562-014,5-Difluoro-1,2-benzenedimethanol
sc-227177α, α, α', α'-Tetramethyl-1,3-benzenedimethanol
PC104357-012,3,5,6-tetrafluoro-1,4-benzenedimethanol

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