3,3-Dimethylglutaric Anhydride - ≥97%(T) , CAS No.4160-82-1

CAS: 4160-82-1 Cat. No.: D154429 分子式: C₇H₁₀O₃ 分子量: 142.15 Beilstein Registry Number: 17419 EC番号: 223-998-1

GRADE & PURITY ≥97%(T)

Synonyms

3,3-Dimethyladipic anhydride | 2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chlorophenol | EINECS 223-998-1 | AMY3981 | 4,4-dimethyloxane-2,6-dione | 2H-Pyran-2, dihydro-4,4-dimethyl- | 4,4-Dimethyldihydro-2H-p

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

3,3-Dimethyladipic anhydride | 2-bromo-4-[3-(3-bromo-5-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-chlorophenol | EINECS 223-998-1 | AMY3981 | 4,4-dimethyloxane-2,6-dione | 2H-Pyran-2, dihydro-4,4-dimethyl- | 4,4-Dimethyldihydro-2H-p

仕様と純度

≥97%(T)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%(T)

名前と識別子

• パブケム・シド: 504755213
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755213
• カノニカル・スマイル: CC1(CC(=O)OC(=O)C1)C
• IUPAC Name: 4,4-dimethyloxane-2,6-dione
• InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
• INCHI: 1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3
• 異性体SMILES: CC1(CC(=O)OC(=O)C1)C
• 分子量: 142.15
• Beilstein: 17419
• Reaxy-Rn: 111994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• 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: Moisture sensitive
• 沸点（°C）: 181°C/25mmHg
• 融点（°C）: 123-127 °C
• 分子量: 142.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 142.063 Da
• Monoisotopic Mass: 142.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• 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