2-Iodotoluene - ≥98%, contains Copper chip as stabilizer , CAS No.615-37-2

CAS: 615-37-2 Cat. No.: I103584 분자식: CH₃C₆H₄I 분자량: 218.03 Beilstein Registry Number: 1634294 EC 번호: 210-422-9

GRADE & PURITY ≥98%, contains Copper chip as stabilizer

Synonyms

1-Iodo-2-methylbenzene | 1-iodo-2-methyl-benzene | NSC3774 | NSC-3774 | DTXSID0060646 | 2-Iodotoluene | 2-iodo-toluene | 2-METHYL-1-IODOBENZENE | I0217 | CHEBI:39813 | O-METHYLPHENYL IODIDE | CBiol_000851 | UNII-8OK4H85T07 | 2-TOLYL IODIDE | 2-Iodotoluene

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

동의어

1-Iodo-2-methylbenzene | 1-iodo-2-methyl-benzene | NSC3774 | NSC-3774 | DTXSID0060646 | 2-Iodotoluene | 2-iodo-toluene | 2-METHYL-1-IODOBENZENE | I0217 | CHEBI:39813 | O-METHYLPHENYL IODIDE | CBiol_000851 | UNII-8OK4H85T07 | 2-TOLYL IODIDE | 2-Iodotoluene

사양 및 순도

≥98%, contains Copper chip as stabilizer

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488179879

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179879

정식 스마일

CC1=CC=CC=C1I

IUPAC Name

1-iodo-2-methylbenzene

InChIKey

RINOYHWVBUKAQE-UHFFFAOYSA-N

INCHI

1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

이성체 SMILES

CC1=CC=CC=C1I

WGK 독일

3

분자량

218.03

Beilstein

1634294

Reaxy-Rn

1634294

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Toluenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Iodobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• External Descriptors: toluenes - iodoarene

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

화학 및 물리적 특성

• 감도: Light sensitive.
• 굴절률: 1.61
• 발화점(°F): 194 °F
• 발화점(°C): 90 °C
• 끓는점(°C): 211°C
• 분자량: 218.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.959 Da
• Monoisotopic Mass: 217.959 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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