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

CAS: 2912-62-1 Cat. No.: D133626 Formule: C₆H₅CHClCOCl Poids moléculaire: 189.04 Beilstein Registry Number: 1073019 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥90%

Noms et identifiants

Pubchem Sid

508810476

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives

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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.544
• Point d'éclair (°F): 123.8 °F
• Point d'éclair (°C): 51 °C
• Point d'ébullition (°C): 120°C/23mmHg
• Poids moléculaire: 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