Bis(2-chloroethoxy)methane - ≥97% , CAS No.111-91-1

CAS: 111-91-1 Cat. No.: B357160 分子式: C₅H₁₀Cl₂O₂ 分子量: 173.04 EC番号: 203-920-2

GRADE & PURITY ≥97%

Synonyms

Formaldehyde bis(2-chloroethyl) acetal | RCRA waste no. U024 | 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane | 1-chloro-2-(2-chloroethoxymethoxy)ethane | Ethane,1'-[methylenebis(oxy)]bis[2-chloro- | Di-2-chloroethyl formal | DTXCID203917 | NCGC00257838-01 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Formaldehyde bis(2-chloroethyl) acetal | RCRA waste no. U024 | 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane | 1-chloro-2-(2-chloroethoxymethoxy)ethane | Ethane,1'-[methylenebis(oxy)]bis[2-chloro- | Di-2-chloroethyl formal | DTXCID203917 | NCGC00257838-01 |

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

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

≥97%

名前と識別子

• パブケム・シド: 528770533
• カノニカル・スマイル: C(CCl)OCOCCCl
• IUPAC Name: 1-chloro-2-(2-chloroethoxymethoxy)ethane
• InChIKey: NLXGURFLBLRZRO-UHFFFAOYSA-N
• INCHI: 1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
• 異性体SMILES: C(CCl)OCOCCCl
• RTECS: PA3675000
• UN番号: 2810
• 包装グループ: I
• 分子量: 173.04
• Reaxy-Rn: 1698909
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698909&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (partly miscible).
• 屈折率: n20D1.45
• 沸点（°C）: 218° C
• 融点（°C）: -32.8° C
• 分子量: 173.030 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.006 Da
• Monoisotopic Mass: 172.006 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 46.200
• 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