3,4-Dichlorotoluene - analytical standard, for environmental analysis , CAS No.95-75-0

CAS: 95-75-0 Cat. No.: D100627 Fórmula: C₇H₆Cl₂ Peso molecular: 161.03 Beilstein Registry Number: 1931687 Número EC: 202-447-9

GRADE & PURITY Analytical standard, for Environmental analysis

Synonyms

3,4-DICHLOROTOLUENE|95-75-0|1,2-Dichloro-4-methylbenzene|Benzene, 1,2-dichloro-4-methyl-|Toluene, 3,4-dichloro-|NSC 8765|EINECS 202-447-9|AI3-02581|NSC8765|3,4-dichloro-toluene|EC 202-447-9|3,4-Dichlorotoluene, 97%|CHEMBL47525|SCHEMBL156450|Benzene,2-dich

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

3,4-DICHLOROTOLUENE | 95-75-0 | 1,2-Dichloro-4-methylbenzene | Benzene, 1,2-dichloro-4-methyl- | Toluene, 3,4-dichloro- | NSC 8765 | EINECS 202-447-9 | AI3-02581 | NSC8765 | 3,4-dichloro-toluene | EC 202-447-9 | 3,4-Dichlorotoluene, 97% | CHEMBL47525 | SCHEMBL156450 | Benzene,2-dich

Especificaciones y pureza

analytical standard, for environmental analysis

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

para el análisis medioambiental, Patrón analítico

Nombres e identificadores

Pubchem Sid

528757891

Sonrisas canónicas

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

IUPAC Name

1,2-dichloro-4-methylbenzene

InChIKey

WYUIWKFIFOJVKW-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

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

WGK Alemania

2

Número ONU

3082

Grupo de embalaje

III

Peso molecular

161.03

Beilstein

1931687

Reaxy-Rn

1931687

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931687&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: 1,2-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: a chloroaromatic compound

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.54
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 90 °C
• Punto de ebullición (°C): 205°C
• Peso molecular: 161.030 g/mol
• XLogP3: 4.000
• 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: 92.900
• 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