O-Chlorotoluene - analytical standard, ≥99.8%(GC) , CAS No.95-49-8

CAS: 95-49-8 Cat. No.: C108168 Summenformel: C₇H₇Cl Molekulargewicht: 126.59 Beilstein Registry Number: 1904175 EG-Nummer: 202-424-3

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

2-Chlorotoluene|1-Chloro-2-methylbenzene|95-49-8|o-Chlorotoluene|Benzene, 1-chloro-2-methyl-|o-Tolyl chloride|ortho-Chlorotoluene|Toluene, o-chloro-|2-Methylchlorobenzene|2-Chloro-1-methylbenzene|Halso 99|1-METHYL-2-CHLOROBENZENE|NSC 8766|UN2238|2G7D0YDV9

Storage

Room temperature

Shipped In

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Specifications

Synonyme

2-Chlorotoluene | 1-Chloro-2-methylbenzene | 95-49-8 | o-Chlorotoluene | Benzene, 1-chloro-2-methyl- | o-Tolyl chloride | ortho-Chlorotoluene | Toluene, o-chloro- | 2-Methylchlorobenzene | 2-Chloro-1-methylbenzene | Halso 99 | 1-METHYL-2-CHLOROBENZENE | NSC 8766 | UN2238 | 2G7D0YDV9

Spezifikationen & Reinheit

analytical standard, ≥99.8%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Reinheit

≥99.8%(GC)

Namen und Kennungen

Pubchem Sid

528775843

Kanonisches Lächeln

CC1=CC=CC=C1Cl

IUPAC Name

1-chloro-2-methylbenzene

InChIKey

IBSQPLPBRSHTTG-UHFFFAOYSA-N

INCHI

1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

Isomere SMILES

CC1=CC=CC=C1Cl

WGK Deutschland

1

UN-Nummer

2238

Verpackungsgruppe

III

Molekulargewicht

126.59

Beilstein

1904175

Reaxy-Rn

1904175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Toluenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.5258
• Flammpunkt (°F): 116.6℉
• Flammpunkt (°C): 47℃
• Siedepunkt (°C): 158.5°C
• Schmelzpunkt (°C): -35 °C
• Molekulargewicht: 126.580 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.024 Da
• Monoisotopic Mass: 126.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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