1-Chloro-1-phenylethane - ≥97% , CAS No.672-65-1

CAS: 672-65-1 Cat. No.: C107586 Formule: C₈H₉Cl Poids moléculaire: 140.61 Beilstein Registry Number: 5(4)898 Numéro CE: 211-594-8

GRADE & PURITY ≥97%

Synonyms

FT-0604508 | SY051118 | 234V97K06A | 1-PHENYLETHYLCHLORIDE | 1-PHENYL-ETHYLCHLORIDE | .ALPHA.-PHENYLETHYL CHLORIDE, (+/-)- | AKOS016039403 | AKOS000268717 | DTXSID20870747 | 1-chloroethylbenzene | alpha-Methylbenzyl chloride | .alpha.-Phenylethyl chloride

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

FT-0604508 | SY051118 | 234V97K06A | 1-PHENYLETHYLCHLORIDE | 1-PHENYL-ETHYLCHLORIDE | .ALPHA.-PHENYLETHYL CHLORIDE, (+/-)- | AKOS016039403 | AKOS000268717 | DTXSID20870747 | 1-chloroethylbenzene | alpha-Methylbenzyl chloride | .alpha.-Phenylethyl chloride

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488181714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181714
• Sourires canoniques: CC(C1=CC=CC=C1)Cl
• IUPAC Name: 1-chloroethylbenzene
• InChIKey: GTLWADFFABIGAE-UHFFFAOYSA-N
• INCHI: 1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
• Isomères SMILES: CC(C1=CC=CC=C1)Cl
• Poids moléculaire: 140.61
• Beilstein: 5(4)898
• Reaxy-Rn: 507167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507167&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: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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: Air sensitive
• Indice de réfraction: 1.53
• Point d'éclair (°F): 44°C
• Point d'éclair (°C): 44°C
• Point d'ébullition (°C): 195°C
• Poids moléculaire: 140.610 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.039 Da
• Monoisotopic Mass: 140.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• 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