4-Chloro-3-iodoaniline - ≥98% , CAS No.573764-31-5

CAS: 573764-31-5 Cat. No.: C194015 Formule: C₆H₅ClIN Poids moléculaire: 253.47

GRADE & PURITY ≥98%

Synonyms

AC-28496 | PS-7437 | SCHEMBL1016688 | 4-chloro-3-iodo aniline | 4-chloro-3-iodoaniline | 4-Chloro-3-iodo-aniline | J-504517 | AWJWTZAGRWNBFC-UHFFFAOYSA-N | DTXSID50619242 | TD1336 | AKOS022171757 | SY034476 | EN300-125658 | AE-562/43458279 | FT-0728379 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

AC-28496 | PS-7437 | SCHEMBL1016688 | 4-chloro-3-iodo aniline | 4-chloro-3-iodoaniline | 4-Chloro-3-iodo-aniline | J-504517 | AWJWTZAGRWNBFC-UHFFFAOYSA-N | DTXSID50619242 | TD1336 | AKOS022171757 | SY034476 | EN300-125658 | AE-562/43458279 | FT-0728379 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504769062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769062
• Sourires canoniques: C1=CC(=C(C=C1N)I)Cl
• IUPAC Name: 4-chloro-3-iodoaniline
• InChIKey: AWJWTZAGRWNBFC-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
• Isomères SMILES: C1=CC(=C(C=C1N)I)Cl
• Poids moléculaire: 253.47
• Reaxy-Rn: 3236483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236483&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Primary amines Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Amine - Organochloride - Organohalogen compound - Organoiodide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene 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

Propriétés chimiques et physiques

• Poids moléculaire: 253.470 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.916 Da
• Monoisotopic Mass: 252.916 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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