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

CAS: 111-91-1 Cat. No.: B357160 Formule: C₅H₁₀Cl₂O₂ Poids moléculaire: 173.04 Numéro CE: 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

Synonymes

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 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528770533
• Sourires canoniques: 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
• Isomères SMILES: C(CCl)OCOCCCl
• RTECS: PA3675000
• Numéro ONU: 2810
• Groupe d'emballage: I
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly miscible).
• Indice de réfraction: n20D1.45
• Point d'ébullition (°C): 218° C
• Point de fusion (°C): -32.8° C
• Poids moléculaire: 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