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

CAS: 4019-63-0 Cat. No.: A474147 Formula: C₆H₅OCD₃ Peso molecolare: 111.16 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(CP),≥98 atom% D

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(CP),≥98 atom% D

Nomi e identificatori

Pubchem Sid

528775417

Sorrisi canonici

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

Isomeri SMILES

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

CAS alternativo

100-66-3（unlabelled）

Numero UN

1993

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.5164 (lit.)
• Punto di infiammabilità (°F): 125.6 °F - closed cup
• Punto di infiammabilità (°C): 52.00 °C - closed cup
• Punto di ebollizione (°C): 154℃ (lit.)
• Punto di fusione (°C): -37℃ (lit.)
• Peso molecolare: 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