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Anisole-(methyl-d₃) - 99 atom% D, high purity , CAS No.4019-63-0

COA

Grade & Purity:

≥98%(CP),≥98 atom% D

Cas Number: 4019-63-0
Molecular Weight: 111.16
MDL number: MFCD00074930
PubChem CID: 12209347

In stock

Item Number

A474147

Grouped product items
SKU	Size	Availability	Price	Qty
A474147-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
A474147-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90

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Stable Isotopes (128)

Basic Description

Synonyms	Anisole-(methyl-d3), 99 atom % D \| D99695 \| Anisole-(methyl-d3) \| Methoxy-d3-benzene \| trideuteriomethoxybenzene \| SCHEMBL2875951 \| DTXSID60480546
Specifications & Purity	≥99 atom% D
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	trideuteriomethoxybenzene
INCHI	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i1D3
InChIKey	RDOXTESZEPMUJZ-FIBGUPNXSA-N
Smiles	COC1=CC=CC=C1
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC=CC=C1
Alternate CAS	100-66-3（unlabelled）
UN Number	1993C
Molecular Weight	111.16
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)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.5164 (lit.)
Flash Point(°F)	125.6 °F - closed cup
Flash Point(°C)	52.00 °C - closed cup
Boil Point(°C)	154℃ (lit.)
Melt Point(°C)	-37℃ (lit.)
Molecular Weight	111.160 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	111.076 Da
Monoisotopic Mass	111.076 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	55.400
Isotope Atom Count	3
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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