2-Iodo-3-methylaniline - ≥95% , CAS No.89938-16-9

CAS: 89938-16-9 Cat. No.: I590627 Formule: C₇H₈IN Poids moléculaire: 233.05 Numéro CE: 819-488-9

GRADE & PURITY ≥95%

Synonyms

A843378 | DTXSID40602188 | CL9431 | AKOS025403194 | 2-iodanyl-3-methyl-aniline | SCHEMBL8773077 | SY034644 | EN300-88612 | AS-46345 | m-Toluidine, 2-iodo- | 2-iodo-3-methylaniline | 2-iodo-3-methyl-aniline | FT-0703710 | MFCD11505640

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

A843378 | DTXSID40602188 | CL9431 | AKOS025403194 | 2-iodanyl-3-methyl-aniline | SCHEMBL8773077 | SY034644 | EN300-88612 | AS-46345 | m-Toluidine, 2-iodo- | 2-iodo-3-methylaniline | 2-iodo-3-methyl-aniline | FT-0703710 | MFCD11505640

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508808495

Sourires canoniques

CC1=C(C(=CC=C1)N)I

IUPAC Name

2-iodo-3-methylaniline

InChIKey

GVVUQVPDBMPZKL-UHFFFAOYSA-N

INCHI

1S/C7H8IN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3

Isomères SMILES

CC1=C(C(=CC=C1)N)I

Poids moléculaire

233.05

Reaxy-Rn

2637697

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2637697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Iodobenzenes Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen 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

Propriétés chimiques et physiques

• Point de fusion (°C): 38-43°C
• Poids moléculaire: 233.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.97 Da
• Monoisotopic Mass: 232.97 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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