m-Toluidine - analytical standard, ≥99.7% , CAS No.108-44-1

CAS: 108-44-1 Cat. No.: T110550 Summenformel: C₇H₉N Molekulargewicht: 107.15 Beilstein Registry Number: 635944 EG-Nummer: 203-583-1 PubChem CID: 7934

GRADE & PURITY Analytical standard, ≥99.7%

Synonyms

m-Toluidine|3-Methylaniline|108-44-1|3-Toluidine|3-AMINOTOLUENE|Benzenamine, 3-methyl-|m-Methylaniline|m-Tolylamine|m-Toluidin|m-Aminotoluene|3-Methylbenzenamine|3-Aminophenylmethane|m-Methylbenzenamine|1-Amino-3-methylbenzene|3-Aminotoluen|Aniline, 3-met

Storage

Protected from light,Room temperature

Shipped In

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Specifications

Synonyme

m-Toluidine | 3-Methylaniline | 108-44-1 | 3-Toluidine | 3-AMINOTOLUENE | Benzenamine, 3-methyl- | m-Methylaniline | m-Tolylamine | m-Toluidin | m-Aminotoluene | 3-Methylbenzenamine | 3-Aminophenylmethane | m-Methylbenzenamine | 1-Amino-3-methylbenzene | 3-Aminotoluen | Aniline, 3-met

Spezifikationen & Reinheit

analytical standard, ≥99.7%

Storage

Protected from light,Room temperature

Verschickt in

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Note

Analytischer Standard

Reinheit

≥99.7%

Namen und Kennungen

• Pubchem Sid: 528776257
• Kanonisches Lächeln: CC1=CC(=CC=C1)N
• IUPAC Name: 3-methylaniline
• InChIKey: JJYPMNFTHPTTDI-UHFFFAOYSA-N
• INCHI: 1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
• Isomere SMILES: CC1=CC(=CC=C1)N
• WGK Deutschland: 3
• RTECS: XU2800000
• PubChem CID: 7934
• UN-Nummer: 1708
• Verpackungsgruppe: II
• Molekulargewicht: 107.15
• Beilstein: 635944
• Reaxy-Rn: 635944

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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

• Löslichkeit: Slightly soluble in water, soluble in alcohol, ether and dilute acid.
• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.567
• Flammpunkt (°F): 186.8 °F - closed cup
• Flammpunkt (°C): 90°C
• Siedepunkt (°C): 203-204°C
• Molekulargewicht: 107.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 107.073 Da
• Monoisotopic Mass: 107.073 Da
• Topological Polar Surface Area: 26.000 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