Dimethyl sulfate-d₆ - ≥98 atom% D , CAS No.15199-43-6

CAS: 15199-43-6 Cat. No.: D121275 분자식: (CD₃O)₂SO₂ 분자량: 132.17 EC 번호: 239-257-0

등급 & 순도 ≥98 atom% D

Synonyms

Methan-d3-ol, sulfate (2:1)|Dimethylsulfate-d6|bis(trideuteriomethyl) sulfate|Di((2H3)methyl) sulphate|Dimethyl sulfate-d6

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

Methan-d3-ol, sulfate (2:1) | Dimethylsulfate-d6 | bis(trideuteriomethyl) sulfate | Di((2H3)methyl) sulphate | Dimethyl sulfate-d6

사양 및 순도

≥98 atom% D

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98 atom% D

이름과 식별자

Pubchem Sid

488186283

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186283

정식 스마일

COS(=O)(=O)OC

IUPAC Name

bis(trideuteriomethyl) sulfate

InChIKey

VAYGXNSJCAHWJZ-WFGJKAKNSA-N

INCHI

1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3/i1D3,2D3

이성체 SMILES

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

WGK 독일

2

분자량

132.17

Reaxy-Rn

1710724

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diesters
• Alternative Parents: Alkyl sulfates Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid diester - Alkyl sulfate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
• 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: 1.385
• 끓는점(°C): 188°C
• 녹는점(°C): -32°C
• 분자량: 132.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.036 Da
• Monoisotopic Mass: 132.036 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 107.000
• Isotope Atom Count: 6
• 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