3-Chlorohexane - ≥95%(GC) , CAS No.2346-81-8

CAS: 2346-81-8 Cat. No.: C153662 분자식: C₆H₁₃Cl 분자량: 120.62 Beilstein Registry Number: 1(4)349 EC 번호: 219-072-1

등급 & 순도 ≥95%(GC)

Synonyms

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

사양 및 순도

≥95%(GC)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

504753495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753495

정식 스마일

CCCC(CC)Cl

IUPAC Name

3-chlorohexane

InChIKey

BXSMMAVTEURRGG-UHFFFAOYSA-N

INCHI

1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

이성체 SMILES

CCCC(CC)Cl

분자량

120.62

Beilstein

1(4)349

Reaxy-Rn

1731330

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

• 굴절률: 1.42
• 발화점(°C): 25 °C
• 끓는점(°C): 123°C
• 분자량: 120.620 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 120.071 Da
• Monoisotopic Mass: 120.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• 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