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Phenol-d6

CAT: 0931-TMIJ-0347-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0347-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13127-88-3
Bioactivity
Phenol-d6 is a deuterated compound of Phenol. Phenol has a CAS number of 108-95-2. Phenol, is a toxic, colourless crystalline solid with a sweet tarry odor that resembles a hospital smell. It is commonly used as an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. Phenol is also used in the preparation of cosmetics including sunscreens, hair dyes, and skin lightening preparations. It is also used in the production of drugs (it is the starting material in the industrial production of aspirin), weedkillers, and synthetic resins.
Smiles
[2H]C1C([2H])=C([2H])C(O[2H])=C([2H])C=1[2H]
Molecular Formula
C6D6H0O
Molecular Weight
100.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenol-d6
CAS Number13127-88-3
PubChem CID123295
IUPAC Name1,2,3,4,5-pentadeuterio-6-deuteriooxybenzene
Molecular FormulaC6H6O
Molecular Weight100.15
XLogP1.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity46
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])O[2H])[2H])[2H]
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD
InChIKey
ISWSIDIOOBJBQZ-QNKSCLMFSA-N
Chemical Structure
2D Structure
2D structure of Phenol-d6
CAS: 13127-88-3
CID: 123295
Formula: C6H6O
MW: 100.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.15
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass100.079525286
Monoisotopic Mass100.079525286
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.1
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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CatalogName
E8221-100mgPhenol-d6
CS-T-60356Phenol D6
S-3035Phenol-d6 - 1ML
423199-013- (Dimethylamlno) phenol-d6
TRC-I535252-5MG4-(Iodoacetylamino)phenol-d6
HY-W700847-014- (3-Aminobutyl) phenol-d6
HY-W751295S1Bisphenol A diglycidyl ether phenol-diol-d6
TRC-A602502-25MGrac 4-(3-Aminobutyl)phenol-d6
sc-219780Rac 4- (3-Aminobutyl) phenol-d6
DE890Phenol-D6 >98 Atom % D 1g bottle

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