alpha-Chloro-p-xylene - ≥99% , CAS No.104-82-5

CAS: 104-82-5 Cat. No.: A101683 Fórmula: C₈H₉Cl Peso molecular: 140.61 Beilstein Registry Number: 507387 Número EC: 203-241-1

GRADE & PURITY ≥99%

Synonyms

p-Methylbenzyl chloride | p-Xylyl-.alpha.-chloride | p-Xylyl-alpha-chloride | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | P-XYLYL CHLORIDE [MI] | DTXCID0030081 | STL163458 | (Chloromethyl)toluene [2-(chloromethyl) plus 4-(chloromethyl)] | NSC4659

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

p-Methylbenzyl chloride | p-Xylyl-.alpha.-chloride | p-Xylyl-alpha-chloride | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | P-XYLYL CHLORIDE [MI] | DTXCID0030081 | STL163458 | (Chloromethyl)toluene [2-(chloromethyl) plus 4-(chloromethyl)] | NSC4659

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

508813268

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813268

Sonrisas canónicas

CC1=CC=C(C=C1)CCl

IUPAC Name

1-(chloromethyl)-4-methylbenzene

InChIKey

DMHZDOTYAVHSEH-UHFFFAOYSA-N

INCHI

1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3

Isómeros SMILES

CC1=CC=C(C=C1)CCl

WGK Alemania

1

RTECS

ZE4030000

Número ONU

3265

Peso molecular

140.61

Beilstein

507387

Reaxy-Rn

507387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507387&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Toluenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl chloride - Toluene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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: Insoluble in water, soluble in alcohol and ether.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.533
• Punto de inflamación (°F): 167°F
• Punto de inflamación (°C): 75℃
• Punto de ebullición (°C): 200°C
• Punto de fusión (°C): 4°C
• Peso molecular: 140.610 g/mol
• XLogP3: 2.900
• 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: 72.600
• 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