Anisole-(methyl-d₃) - ≥98%(CP),≥98 atom% D , CAS No.4019-63-0

CAS: 4019-63-0 Cat. No.: A474147 Summenformel: C₆H₅OCD₃ Molekulargewicht: 111.16 EG-Nummer: 693-067-6

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

Anisole-(methyl-d3), 99 atom % D | D99695 | Anisole-(methyl-d3) | Methoxy-d3-benzene | trideuteriomethoxybenzene | SCHEMBL2875951 | DTXSID60480546

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Anisole-(methyl-d3), 99 atom % D | D99695 | Anisole-(methyl-d3) | Methoxy-d3-benzene | trideuteriomethoxybenzene | SCHEMBL2875951 | DTXSID60480546

Spezifikationen & Reinheit

≥98%(CP),≥98 atom% D

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(CP),≥98 atom% D

Namen und Kennungen

Pubchem Sid

528775417

Kanonisches Lächeln

COC1=CC=CC=C1

IUPAC Name

trideuteriomethoxybenzene

InChIKey

RDOXTESZEPMUJZ-FIBGUPNXSA-N

INCHI

1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i1D3

Isomere SMILES

[2H]C([2H])([2H])OC1=CC=CC=C1

Alternative CAS-Nummer

100-66-3（unlabelled）

UN-Nummer

1993

Verpackungsgruppe

III

Molekulargewicht

111.16

Reaxy-Rn

506892

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506892&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.5164 (lit.)
• Flammpunkt (°F): 125.6 °F - closed cup
• Flammpunkt (°C): 52.00 °C - closed cup
• Siedepunkt (°C): 154℃ (lit.)
• Schmelzpunkt (°C): -37℃ (lit.)
• Molekulargewicht: 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 Ų
• 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