Phenoxyacetyl Chloride - ≥98%(GC) , CAS No.701-99-5

CAS: 701-99-5 Cat. No.: P160117 Fórmula: C₈H₇ClO₂ Peso molecular: 170.59 Beilstein Registry Number: 607585 Número CE: 211-862-4 PubChem CID: 69703

GRAU & PUREZA ≥98%(GC)

Synonyms

2-phenoxyacetyl chloride | Acetyl chloride, 2-phenoxy- | F2190-0093 | EN300-20022 | NS65CKB849 | Acetyl chloride, phenoxy- | EINECS 211-862-4 | 2-phenoxyacetylchloride | DTXSID1061029 | E78941 | FT-0632844 | MFCD00000726 | AKOS000104374 | phenoxylacetylch

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-phenoxyacetyl chloride | Acetyl chloride, 2-phenoxy- | F2190-0093 | EN300-20022 | NS65CKB849 | Acetyl chloride, phenoxy- | EINECS 211-862-4 | 2-phenoxyacetylchloride | DTXSID1061029 | E78941 | FT-0632844 | MFCD00000726 | AKOS000104374 | phenoxylacetylch

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504754430

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754430

Sorrisos canónicos

C1=CC=C(C=C1)OCC(=O)Cl

IUPAC Name

2-phenoxyacetyl chloride

InChIKey

PKUPAJQAJXVUEK-UHFFFAOYSA-N

INCHI

1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2

SMILES isoméricas

C1=CC=C(C=C1)OCC(=O)Cl

WGK Alemanha

3

PubChem CID

69703

Peso molecular

170.59

Beilstein

607585

Reaxy-Rn

607585

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Solubilidade: Reacts with water.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.5320 to 1.5390
• Ponto de inflamação (°F): 108°C
• Ponto de inflamação (°C): 108°C
• Ponto de ebulição (°C): 226°C
• Peso molecular: 170.590 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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 ≥98% 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 701-99-5, the molecular formula is C8H7ClO2, and the molecular weight is 170.59 g/mol. InChIKey PKUPAJQAJXVUEK-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.