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

CAS: 25186-47-4 Cat. No.: D192312 Summenformel: C₇H₆Cl₂ Molekulargewicht: 161.03 EG-Nummer: 246-722-1

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528757980

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • 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: 1,3-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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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