Cloruro de benciloxiacetílico - ≥95% , CAS No.19810-31-2

CAS: 19810-31-2 Cat. No.: B113756 Peso molecular: 184.62 Beilstein Registry Number: 1947363 Número EC: 629-534-8

GRADE & PURITY ≥95%

Synonyms

2-benzyloxyacetyl chloride | benzyloxy acetylchloride | 2-benzyloxy acetyl chloride | benzyloxyacetic acid chloride | (benzyloxy)acetylchloride | FT-0622858 | (benzyloxy)acetyl chloride | AMY15053 | MFCD00010768 | 2-(benzyloxy)acetylchloride | CAS-40487-4

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Reactivo utilizado para construir 2-azetidinonas sustituidas para su posterior elaboración en β-lactamasas anuladas. También es un reactivo comúnmente empleado para la síntesis asimétrica de β-lactamasas.

Specifications

Sinónimos

2-benzyloxyacetyl chloride | benzyloxy acetylchloride | 2-benzyloxy acetyl chloride | benzyloxyacetic acid chloride | (benzyloxy)acetylchloride | FT-0622858 | (benzyloxy)acetyl chloride | AMY15053 | MFCD00010768 | 2-(benzyloxy)acetylchloride | CAS-40487-4

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COCC(=O)Cl
• IUPAC Name: 2-phenylmethoxyacetyl chloride
• InChIKey: QISAUDWTBBNJIR-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• Isómeros SMILES: C1=CC=C(C=C1)COCC(=O)Cl
• WGK Alemania: 3
• Número ONU: 3265
• Peso molecular: 184.62
• Beilstein: 1947363
• Reaxy-Rn: 1947363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947363&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Reacts with water.
• Sensibilidad: Moisture & air Sensitive.
• Índice de refracción: 1.523
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 84-87°C
• Peso molecular: 184.620 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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