Éter 2-cloroetil benzílico - ≥97%(GC) , CAS No.17229-17-3

CAS: 17229-17-3 Cat. No.: B132425 Fórmula: C₉H₁₁ClO Peso molecular: 170.64 Beilstein Registry Number: 6(4)2230 Número CE: 678-168-5

GRADE & PURITY ≥97%(GC)

Synonyms

NSC11269 | NSC-11269 | SCHEMBL2473034 | FT-0637514 | N12052 | V4L6VSV27H | alpha-(2-Chloroethoxy)toluene | 2-benzyloxyethyl chloride | chloroethyl benzyl ether | 2-(Benzyloxy)ethyl Chloride | 2-benzyloxy-1-chloroethane | A881884 | Benzyl 2-chloroethyl eth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC11269 | NSC-11269 | SCHEMBL2473034 | FT-0637514 | N12052 | V4L6VSV27H | alpha-(2-Chloroethoxy)toluene | 2-benzyloxyethyl chloride | chloroethyl benzyl ether | 2-(Benzyloxy)ethyl Chloride | 2-benzyloxy-1-chloroethane | A881884 | Benzyl 2-chloroethyl eth

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488188731

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188731

Sorrisos canónicos

C1=CC=C(C=C1)COCCCl

IUPAC Name

2-chloroethoxymethylbenzene

InChIKey

UPIMXDQREQJWMR-UHFFFAOYSA-N

INCHI

1S/C9H11ClO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2

SMILES isoméricas

C1=CC=C(C=C1)COCCCl

Peso molecular

170.64

Beilstein

6(4)2230

Reaxy-Rn

1862611

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.52
• Peso molecular: 170.630 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 170.05 Da
• Monoisotopic Mass: 170.05 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 89.600
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 17229-17-3, the molecular formula is C9H11ClO, and the molecular weight is 170.64 g/mol. InChIKey UPIMXDQREQJWMR-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.