Benzyl 2-Chloroethyl Ether - ≥97%(GC) , CAS No.17229-17-3

CAS: 17229-17-3 Cat. No.: B132425 Formula: C₉H₁₁ClO Molecular Weight: 170.64 Beilstein Registry Number: 6(4)2230 EC Number: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

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

Specifications & Purity

≥97%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488188731
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188731
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)COCCCl
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.52
• Molecular Weight: 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

Frequently Asked Questions

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.