3-Methylhexane - ≥95%(GC) , CAS No.589-34-4

CAS: 589-34-4 Cat. No.: M158521 분자식: C₇H₁₆ 분자량: 100.21 Beilstein Registry Number: 1718740 EC 번호: 209-643-3

등급 & 순도 ≥95%(GC)

Synonyms

(S)-(+)-3-methylhexane | AKOS015841881 | DTXSID3044334 | (+/-)-3-METHYLHEXANE | 3-Methylhexane, 99% | 3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937 | EINECS 209-643-3 | 1J3ZK6L6VY | Hexane, 3-methyl- | NCGC00260396-01 | NSC73937 | NSC-73

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

사양

동의어

(S)-(+)-3-methylhexane | AKOS015841881 | DTXSID3044334 | (+/-)-3-METHYLHEXANE | 3-Methylhexane, 99% | 3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937 | EINECS 209-643-3 | 1J3ZK6L6VY | Hexane, 3-methyl- | NCGC00260396-01 | NSC73937 | NSC-73

사양 및 순도

≥95%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

504752142

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752142

정식 스마일

CCCC(C)CC

IUPAC Name

3-methylhexane

InChIKey

VLJXXKKOSFGPHI-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3

이성체 SMILES

CCCC(C)CC

WGK 독일

2

UN 번호

1206

포장 그룹

II

분자량

100.21

Beilstein

1718740

Reaxy-Rn

1718740

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Hygroscopic
• 굴절률: 1.39
• 발화점(°F): 30.2 °F
• 발화점(°C): -1°C
• 끓는점(°C): 91 °C
• 녹는점(°C): -119°C
• 분자량: 100.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.000
• 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