The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Phenol-2,3,4,5,6-d₅ - 98%，98atom%D, high purity , CAS No.4165-62-2
Basic Description
Synonyms
Q63408938 | 2,3,4,5,6-pentadeuteriophenol | Phen-d5-ol | PHENOL (2,3,4,5,6-D5) | Phenol-d5 | MFCD00084164 | Phenol-2,3,4,5,6 D5; Phenol (ring-D5); Phen-2,3,4,5,6-d5-ol; Phen-d5-ol (7CI,8CI,9CI); 2,3,4,5,6-Pentadeuteriophenol | Phenol-2,3,4,5,6-d5, 98 atom
Specifications & Purity
≥98 atom% D,≥98%
Storage Temp
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Phenol-2,3,4,5,6-d5is an isotope-labeled analog of phenol, wherein 2,3,4, 5, and 6thprotons of phenol are replaced by deuterium.Phenol-2,3,4,5,6-d5can be used as an internal analytical standard for accurate data interpretation using various analytical techniques.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488197941
IUPAC Name
2,3,4,5,6-pentadeuteriophenol
INCHI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D
InChIKey
ISWSIDIOOBJBQZ-RALIUCGRSA-N
Smiles
C1=CC=C(C=C1)O
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]
WGK Germany
3
Molecular Weight
99.14
Reaxy-Rn
969616
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969616&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive
Flash Point(°F)
174.2 °F
Flash Point(°C)
79 °C
Boil Point(°C)
182 °C (lit.)
Melt Point(°C)
40-42 °C (lit.)
Molecular Weight
99.140 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
99.0732 Da
Monoisotopic Mass
99.0732 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
46.100
Isotope Atom Count
5
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
D23081541