3-Iodo-o-xylene - ≥97% , CAS No.31599-60-7

CAS: 31599-60-7 Cat. No.: I123659 Peso molecular: 232.06 Beilstein Registry Number: 1929733 Número EC: 608-648-1

GRADE & PURITY ≥97%

Synonyms

SY048327 | I0547 | A820920 | 1-Iodo-2,3-dimethylbenzene | 1-iodo-2,3-dimethyl-benzene | 1,2-dimethyl-3-iodobenzene | AKOS005145658 | MFCD00041437 | Benzene, 1-iodo-2,3-dimethyl- | FT-0615906 | EN300-250350 | InChI=1/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY048327 | I0547 | A820920 | 1-Iodo-2, 3-dimethylbenzene | 1-iodo-2, 3-dimethyl-benzene | 1, 2-dimethyl-3-iodobenzene | AKOS005145658 | MFCD00041437 | Benzene, 1-iodo-2, 3-dimethyl- | FT-0615906 | EN300-250350 | InChI=1/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H, 1-2H3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188119
• Sonrisas canónicas: CC1=C(C(=CC=C1)I)C
• IUPAC Name: 1-iodo-2,3-dimethylbenzene
• InChIKey: DANMWBNOPFBJSZ-UHFFFAOYSA-N
• INCHI: 1S/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
• Isómeros SMILES: CC1=C(C(=CC=C1)I)C
• Peso molecular: 232.06
• Beilstein: 1929733
• Reaxy-Rn: 1929733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1929733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Iodobenzenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• Índice de refracción: 1.603
• Punto de inflamación (°F): >110°C
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 98-100°C
• Peso molecular: 232.060 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 231.975 Da
• Monoisotopic Mass: 231.975 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.600
• 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