3,5-Dichlorotoluene - ≥98% , CAS No.25186-47-4

CAS: 25186-47-4 Cat. No.: D192312 Fórmula: C₇H₆Cl₂ Peso molecular: 161.03 Número EC: 246-722-1

CALIDAD & PUREZA ≥98%

Synonyms

2UT66DS4S2 | Benzene, 1,3-dichloro-5-methyl- | CL8825 | EN300-125634 | SCHEMBL170788 | DTXSID30179854 | EINECS 246-722-1 | 1,3-Dichloro-5-methylbenzene | AM20040021 | MFCD00035819 | SY020705 | MB00382 | UNII-2UT66DS4S2 | 1,3-Dichloro-5-methylbenzene; Tolu

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

2UT66DS4S2 | Benzene, 1,3-dichloro-5-methyl- | CL8825 | EN300-125634 | SCHEMBL170788 | DTXSID30179854 | EINECS 246-722-1 | 1,3-Dichloro-5-methylbenzene | AM20040021 | MFCD00035819 | SY020705 | MB00382 | UNII-2UT66DS4S2 | 1,3-Dichloro-5-methylbenzene; Tolu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528757980

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757980

Sonrisas canónicas

CC1=CC(=CC(=C1)Cl)Cl

IUPAC Name

1,3-dichloro-5-methylbenzene

InChIKey

RYMMNSVHOKXTNN-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

Isómeros SMILES

CC1=CC(=CC(=C1)Cl)Cl

Peso molecular

161.03

Reaxy-Rn

2324399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Peso molecular: 161.030 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.985 Da
• Monoisotopic Mass: 159.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.900
• 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