2-Ethylhexyl iodide - ≥97% , CAS No.1653-16-3

CAS: 1653-16-3 Cat. No.: E468818 분자식: C₈H₁₇I 분자량: 240.13 EC 번호: 216-720-5

등급 & 순도 ≥97%

Synonyms

Heptane, 3-(iodomethyl)-|3-(Iodomethyl)heptane|2-Ethylhexyl iodide|2-ETHYLHEXYLIODIDE|2-Ethyl-1-iodohexane|starbld0009825

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

Heptane, 3-(iodomethyl)- | 3-(Iodomethyl)heptane | 2-Ethylhexyl iodide | 2-ETHYLHEXYLIODIDE | 2-Ethyl-1-iodohexane | starbld0009825

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

528756255

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756255

정식 스마일

CCCCC(CC)CI

IUPAC Name

3-(iodomethyl)heptane

InChIKey

WNPGSEJRPYSCDQ-UHFFFAOYSA-N

INCHI

1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

이성체 SMILES

CCCCC(CC)CI

WGK 독일

3

분자량

240.13

Reaxy-Rn

1719283

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
• 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

화학 및 물리적 특성

• 감도: light & Moisture sensitive
• 굴절률: 1.491
• 발화점(°F): 174.2 °F
• 발화점(°C): 79 °C
• 끓는점(°C): 90 °C/18 mmHg
• 분자량: 240.120 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 240.037 Da
• Monoisotopic Mass: 240.037 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 52.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1