Methyl methacrylate-d8 - ≥99 atom% D,≥99%, contains hydroquinone as stabilizer , CAS No.35233-69-3

CAS: 35233-69-3 Cat. No.: M465474 Formule: C₅D₈O₂ Poids moléculaire: 108.17 Numéro CE: 252-449-9

GRADE & PURITY ≥99 atom% D,≥99%, contains hydroquinone as stabilizer

Synonyms

SCHEMBL1330593 | Methyl-d3 methacrylate-d5, >=99 atom % D, >=99% (CP), contains hydroquinone as stabilizer | Perdeutero(methyl methacrylate) | (~2~H_3_)Methyl 2-(~2~H_3_)methyl(~2~H_2_)prop-2-enoate | DTXSID20956671 | EINECS 252-449-9 | methylmethacrylate

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL1330593 | Methyl-d3 methacrylate-d5, >=99 atom % D, >=99% (CP), contains hydroquinone as stabilizer | Perdeutero(methyl methacrylate) | (~2~H_3_)Methyl 2-(~2~H_3_)methyl(~2~H_2_)prop-2-enoate | DTXSID20956671 | EINECS 252-449-9 | methylmethacrylate

Spécifications et pureté

≥99 atom% D,≥99%, contains hydroquinone as stabilizer

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99 atom% D,≥99%

Noms et identifiants

• Sourires canoniques: CC(=C)C(=O)OC
• IUPAC Name: trideuteriomethyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate
• InChIKey: VVQNEPGJFQJSBK-MGGKGRBPSA-N
• INCHI: 1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3,3D3
• Isomères SMILES: [2H]C(=C(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
• CAS alternatif: 80-62-6 （unlabeled）
• Numéro ONU: 1247
• Poids moléculaire: 108.17
• Reaxy-Rn: 605459
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605459&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Indice de réfraction: n20/D 1.413 (lit.)
• Point d'éclair (°F): 48.2 °F - closed cup
• Point d'éclair (°C): 9 °C - closed cup
• Point d'ébullition (°C): 100℃ (lit.)
• Point de fusion (°C): −48℃ (lit.)
• Poids moléculaire: 108.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 108.103 Da
• Monoisotopic Mass: 108.103 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 94.300
• 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