2-Iodo-5-nitrotoluene - ≥98% , CAS No.5326-38-5

CAS: 5326-38-5 Cat. No.: W137261 Summenformel: IC₆H₄(CH₃)NO₂ Molekulargewicht: 263.03 EG-Nummer: 226-204-1 PubChem CID: 79225

QUALITÄT & REINHEIT ≥98%

Synonyms

SCHEMBL527700 | SY016397 | 2-Iodo-5-nitrotoluene | EN300-7065625 | A829482 | AC1338 | Benzene, 1-iodo-2-methyl-4-nitro- | NSC 293 | 2-Jod-5-Nitro- 1-Methylbenzol | NSC293 | NSC-293 | EINECS 226-204-1 | BBL002696 | BB 0245045 | AKOS000298466 | I0992 | AM61

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

SCHEMBL527700 | SY016397 | 2-Iodo-5-nitrotoluene | EN300-7065625 | A829482 | AC1338 | Benzene, 1-iodo-2-methyl-4-nitro- | NSC 293 | 2-Jod-5-Nitro- 1-Methylbenzol | NSC293 | NSC-293 | EINECS 226-204-1 | BBL002696 | BB 0245045 | AKOS000298466 | I0992 | AM61

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488185696

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185696

Kanonisches Lächeln

CC1=C(C=CC(=C1)[N+](=O)[O-])I

IUPAC Name

1-iodo-2-methyl-4-nitrobenzene

InChIKey

ARJHCXYRCLMLQN-UHFFFAOYSA-N

INCHI

1S/C7H6INO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

Isomere SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])I

WGK Deutschland

3

PubChem CID

79225

Molekulargewicht

263.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes Nitroaromatic compounds Iodobenzenes Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Schmelzpunkt (°C): 103-107°C
• Molekulargewicht: 263.030 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 262.944 Da
• Monoisotopic Mass: 262.944 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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