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

CAS: 95-75-0 Cat. No.: D100627 Summenformel: C₇H₆Cl₂ Molekulargewicht: 161.03 Beilstein Registry Number: 1931687 EG-Nummer: 202-447-9

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

analytical standard, for environmental analysis

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard, für die Umweltanalyse

Namen und Kennungen

Pubchem Sid

528757891

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

UN-Nummer

3082

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.54
• Flammpunkt (°F): 194 °F
• Flammpunkt (°C): 90 °C
• Siedepunkt (°C): 205°C
• Molekulargewicht: 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