m-Toluidine - CP , CAS No.108-44-1

CAS: 108-44-1 Cat. No.: T110549 Molecular Weight: 107.15 Beilstein Registry Number: 635944 EC Number: 203-583-1 PubChem CID: 7934

GRADE & PURITY CP

Synonyms

(M-METHYLPHENYL)AMINE | 3-methylphenylamine | 3-methyl-phenylamine | NCGC00254415-01 | phenmedipham TP3 | W-108717 | HSDB 2043 | M-TOLUIDINE [MI] | m-Toluidine, liquid or solid | T0298 | CAS-108-44-1 | metatoluidine | meta-toluidine | m-Methylbenzenamine

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

(M-METHYLPHENYL)AMINE | 3-methylphenylamine | 3-methyl-phenylamine | NCGC00254415-01 | phenmedipham TP3 | W-108717 | HSDB 2043 | M-TOLUIDINE [MI] | m-Toluidine, liquid or solid | T0298 | CAS-108-44-1 | metatoluidine | meta-toluidine | m-Methylbenzenamine

Specifications & Purity

CP

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

CP

Names and Identifiers

• Pubchem Sid: 504751515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751515
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC(=CC=C1)N
• WGK Germany: 3
• RTECS: XU2800000
• PubChem CID: 7934
• UN Number: 1708
• Packing Group: II
• Molecular Weight: 107.15
• Beilstein: 635944
• Reaxy-Rn: 635944

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in alcohol, ether and dilute acid.
• Sensitivity: Light sensitive.
• Refractive Index: 1.567
• Flash Point(°F): 186.8 °F - closed cup
• Flash Point(°C): 90°C
• Boil Point(°C): 203-204°C
• Molecular Weight: 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

References

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