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

CAS: 111-91-1 Cat. No.: B357160 Fórmula: C₅H₁₀Cl₂O₂ Peso molecular: 173.04 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 528770533
• Sonrisas canónicas: 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
• Isómeros SMILES: C(CCl)OCOCCCl
• RTECS: PA3675000
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 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
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly miscible).
• Índice de refracción: n20D1.45
• Punto de ebullición (°C): 218° C
• Punto de fusión (°C): -32.8° C
• Peso molecular: 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