α-Chlorophenylacetyl chloride - ≥90% , CAS No.2912-62-1

CAS: 2912-62-1 Cat. No.: D133626 Peso molecular: 189.04 Beilstein Registry Number: 1073019 Número EC: 220-826-7

GRADE & PURITY ≥90%

Synonyms

2-chloro-2-phenylacetyl chloride | 2-chloro-2-phenyl-acetyl chloride | .ALPHA.-CHLOROBENZENEACETYL CHLORIDE | CAA91262 | EINECS 220-826-7 | J-017402 | Q27257837 | Benzeneacetyl chloride, | MFCD00000857 | 3P316SLR5B | NCGC00260422-01 | Benzeneacetyl chlori

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Usually used in the synthesis of α-chlorophenylacetic acid (CPAA),and also used to prepare chloro-telechelic macroinitiators.

Specifications

Sinónimos

2-chloro-2-phenylacetyl chloride | 2-chloro-2-phenyl-acetyl chloride | .ALPHA.-CHLOROBENZENEACETYL CHLORIDE | CAA91262 | EINECS 220-826-7 | J-017402 | Q27257837 | Benzeneacetyl chloride, | MFCD00000857 | 3P316SLR5B | NCGC00260422-01 | Benzeneacetyl chlori

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C(=O)Cl)Cl
• IUPAC Name: 2-chloro-2-phenylacetyl chloride
• InChIKey: FGEAOSXMQZWHIQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H
• Isómeros SMILES: C1=CC=C(C=C1)C(C(=O)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 189.04
• Beilstein: 1073019
• Reaxy-Rn: 3197872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3197872&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.544
• Punto de inflamación (°F): 123.8 °F
• Punto de inflamación (°C): 51 °C
• Punto de ebullición (°C): 120°C/23mmHg
• Peso molecular: 189.040 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.98 Da
• Monoisotopic Mass: 187.98 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1