alfa-cloro-p-xilene - ≥98% , CAS No.104-82-5

CAS: 104-82-5 Cat. No.: A164460 Formula: C₈H₉Cl Peso molecolare: 140.61 Beilstein Registry Number: 507387 Numero EC: 203-241-1

GRADE & PURITY ≥98%

Synonyms

p-metilbenzilcloruro | p-Xylyl-.alpha.-cloruro | p-Xylyl-alpha-cloruro | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | CLORURO DI P-XYLYL [MI] | DTXCID0030081 | STL163458 | (Clorometil)toluene [2-(clorometil) più 4-(clorometil)] | NSC4659

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

p-metilbenzilcloruro | p-Xylyl-.alpha.-cloruro | p-Xylyl-alpha-cloruro | W-108807 | 858830J11H | AKOS000120999 | CCRIS 5109 | CLORURO DI P-XYLYL [MI] | DTXCID0030081 | STL163458 | (Clorometil)toluene [2-(clorometil) più 4-(clorometil)] | NSC4659

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508813269

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813269

Sorrisi canonici

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

Isomeri SMILES

CC1=CC=C(C=C1)CCl

WGK Germania

1

RTECS

ZE4030000

Numero UN

3265

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.533
• Punto di infiammabilità (°F): 167°F
• Punto di infiammabilità (°C): 75℃
• Punto di ebollizione (°C): 200°C
• Punto di fusione (°C): 4°C
• Peso molecolare: 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