2-Chloro-1,1,1-trimethoxyethane - ≥98% , CAS No.74974-54-2

CAS: 74974-54-2 Cat. No.: C473607 Fórmula: C₅H₁₁ClO₃ Peso molecular: 154.59 Número EC: 629-378-0

GRADE & PURITY ≥98%

Synonyms

AMY12545 | Ethane, 2-chloro-1,1,1-trimethoxy- | NPEIUNVTLXEOLT-UHFFFAOYSA-N | 2-Chloro-1,1,1-trimethoxyethane | 2-chloro-1,1,1-trimethoxy-ethane | EN300-67510 | FT-0611673 | 1,1,1-Trimethoxy-2-chloroethane | BBL103937 | BCP11323 | 2-chloro-1,1,1-trimethox

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

Description

2-Chloro-1,1,1-trimethoxyethane is a chloromethyl heterocyclic compound. It participates in the synthesis of 2-phenyl-1,3,4-oxadiazole derivatives.2-Chloro-1,1,1-trimethoxyethane may be used for the synthesis of chlorotriazolinone, an NK1antagonist and 2-chloromethyl-7-[3-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one.

Specifications

Sinónimos

AMY12545 | Ethane, 2-chloro-1,1,1-trimethoxy- | NPEIUNVTLXEOLT-UHFFFAOYSA-N | 2-Chloro-1,1,1-trimethoxyethane | 2-chloro-1,1,1-trimethoxy-ethane | EN300-67510 | FT-0611673 | 1,1,1-Trimethoxy-2-chloroethane | BBL103937 | BCP11323 | 2-chloro-1,1,1-trimethox

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged,Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504757279

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757279

Sonrisas canónicas

COC(CCl)(OC)OC

IUPAC Name

2-chloro-1,1,1-trimethoxyethane

InChIKey

NPEIUNVTLXEOLT-UHFFFAOYSA-N

INCHI

1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3

Isómeros SMILES

COC(CCl)(OC)OC

Peso molecular

154.59

Reaxy-Rn

5490395

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5490395&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.425
• Punto de inflamación (°C): 43°C(109°F)(lit
• Punto de ebullición (°C): 138 °C(lit.)
• Peso molecular: 154.590 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.04 Da
• Monoisotopic Mass: 154.04 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 64.300
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74974-54-2, the molecular formula is C5H11ClO3, and the molecular weight is 154.59 g/mol. InChIKey NPEIUNVTLXEOLT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.