2-Chloro-1,1,1-triméthoxyéthane - ≥95% , CAS No.74974-54-2

CAS: 74974-54-2 Cat. No.: D304550 Formule: C₅H₁₁ClO₃ Poids moléculaire: 154.59 Numéro CE: 629-378-0

GRADE & PURITY ≥95%

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

Température ambiante,Déshydraté

Shipped In

Normal

Vue d’ensemble

Présentation du produit

le 2-chloro-1,1,1-triméthoxyéthane est un composé hétérocyclique chlorométhylique. Il participe à la synthèse des dérivés du 2-phényl-1,3,4-oxadiazole.

Application

le 2-chloro-1,1,1-triméthoxyéthane peut être utilisé pour la synthèse de la chlorotriazolinone, un antagoniste NK1, et de la 2-chlorométhyl-7-[3-(trifluorométhyl)pyridin-2-yl]-3H-quinazolin-4-one.

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Température ambiante,Déshydraté

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488188173

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188173

Sourires canoniques

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

Isomères SMILES

COC(CCl)(OC)OC

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Ortho esters

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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.425
• Point d'éclair (°C): 43°C(109°F)(lit
• Point d'ébullition (°C): 138 °C(lit.)
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.