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Anisole-d₈ - 98%，98atom%D, high purity , CAS No.54887-54-6
Basic Description
Synonyms
SCHEMBL13916998 | 1-(?H?)methoxy(?H?)benzene | D99183 | Anisole-d8 | DTXSID80480548 | 1,2,3,4,5-pentadeuterio-6-(trideuteriomethoxy)benzene | Methoxybenzene-d8 | Anisole-d8, 98 atom % D
Specifications & Purity
≥98 atom% D,≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application：
Anisole-d8 is the labeled analogue of Anisole (A673900), which is used in perfumery.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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
488197946
IUPAC Name
1,2,3,4,5-pentadeuterio-6-(trideuteriomethoxy)benzene
INCHI
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey
RDOXTESZEPMUJZ-JGUCLWPXSA-N
Smiles
COC1=CC=CC=C1
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC([2H])([2H])[2H])[2H])[2H]
Molecular Weight
116.19
Reaxy-Rn
506892
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506892&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Chloroform (Sparingly), Methanol (Slightly)
Refractive Index
1.5145 (lit.)
Boil Point(°C)
154 °C (lit.)
Molecular Weight
116.190 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
116.108 Da
Monoisotopic Mass
116.108 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
55.400
Isotope Atom Count
8
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
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D2326112