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Chloroxylenol-d6

CAT: 0804-HY-B1414SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1414SSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Chloroxylenol-d6 is the deuterium labeled Chloroxylenol. Chloroxylenol is a broad spectrum antimicrobial chemical compound used to control bacteria, algae, fungi and virus.
CAS Number
1407521-66-7
Product Name Alternative
P-Chloro-m-xylenol-d6; PCMX-d6
UNSPSC
12352005
Target
Bacterial; Influenza Virus; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
ClC1=C(C=C(C=C1C([2H])([2H])[2H])O)C([2H])([2H])[2H]
Molecular Formula
C8H3D6ClO
Molecular Weight
162.65
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Holt GS, et al. Shigatoxin encoding Bacteriophage ϕ24B modulates bacterial metabolism to raise antimicrobial tolerance. Sci Rep. 2017 Jan 20;7:40424.|[3]Wood A, et al. The action of three antiseptics/disinfectants against enveloped and non-enveloped viruses. J Hosp Infect. 1998 Apr;38 (4) :283-95.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Chloroxylenol-d6
CAS Number1407521-66-7
PubChem CID71314850
IUPAC Name4-chloro-3,5-bis(trideuteriomethyl)phenol
Molecular FormulaC8H9ClO
Molecular Weight162.64
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
[2H]C([2H])([2H])C1=CC(=CC(=C1Cl)C([2H])([2H])[2H])O
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3/i1D3,2D3
InChIKey
OSDLLIBGSJNGJE-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Chloroxylenol-d6
CAS: 1407521-66-7
CID: 71314850
Formula: C8H9ClO
MW: 162.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.64
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass162.0718531
Monoisotopic Mass162.0718531
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
Isotope Atom Count6
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

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AR-C07199-01Chloroxylenol-d6
AR-C07201-01Chloroxylenol-d6 Sulfate
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