3,4-Dimethyliodobenzene - ≥97% , CAS No.31599-61-8

CAS: 31599-61-8 Cat. No.: D123657 Formula: C₈H₉I Peso molecolare: 232.0636 Numero EC: 628-993-1

GRADE & PURITY ≥97%

Synonyms

DS-18274 | 4-Jod-1.2-dimethylbenzol | 1,2-Dimethyl-4-iodobenzene | EN300-106932 | FT-0618799 | 4-Iodo-o-xylene | 3,4-Dimethyliodobenzene 4-Iodo-o-xylene | AKOS005145656 | 4-iodo-orthoxylene | 4-IODO-ORTHO-XYLENE | AMY9665 | 4-Iodo-1,2-dimethylbenzene # |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DS-18274 | 4-Jod-1.2-dimethylbenzol | 1,2-Dimethyl-4-iodobenzene | EN300-106932 | FT-0618799 | 4-Iodo-o-xylene | 3,4-Dimethyliodobenzene 4-Iodo-o-xylene | AKOS005145656 | 4-iodo-orthoxylene | 4-IODO-ORTHO-XYLENE | AMY9665 | 4-Iodo-1,2-dimethylbenzene # |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488188120

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188120

Sorrisi canonici

CC1=C(C=C(C=C1)I)C

IUPAC Name

4-iodo-1,2-dimethylbenzene

InChIKey

CSFRCLYFVINMBZ-UHFFFAOYSA-N

INCHI

1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

Isomeri SMILES

CC1=C(C=C(C=C1)I)C

WGK Germania

3

Peso molecolare

232.0636

Reaxy-Rn

1905729

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905729&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive
• Indice di rifrazione: 1.603
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110℃
• Punto di ebollizione (°C): 232℃
• Peso molecolare: 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