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

CAS: 35233-69-3 Cat. No.: M465474 分子式: C₅D₈O₂ 分子量: 108.17 EC番号: 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

同義語

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

仕様と純度

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

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99 atom% D,≥99%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

[2H]C(=C(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H])[2H]

代替CAS番号

80-62-6 （unlabeled）

UN番号

1247

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive
• 屈折率: n20/D 1.413 (lit.)
• 引火点（°F）: 48.2 °F - closed cup
• 引火点（°C）: 9 °C - closed cup
• 沸点（°C）: 100℃ (lit.)
• 融点（°C）: −48℃ (lit.)
• 分子量: 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