Heptane - HPLC grade, ≥99%(GC) , CAS No.142-82-5

CAS: 142-82-5 Cat. No.: H108112 분자식: C₇H₁₆ 분자량: 100.2 Beilstein Registry Number: 1730763 EC 번호: 205-563-8

등급 & 순도 HPLC grade, ≥99%(GC)

Synonyms

n-Heptane | Heptan

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

사양

동의어

n-Heptane | Heptan

사양 및 순도

HPLC grade, ≥99%(GC)

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

등급

HPLC grade

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

508813822

정식 스마일

CCCCCCC

IUPAC Name

heptane

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

이성체 SMILES

CCCCCCC

WGK 독일

2

RTECS

MI7700000

UN 번호

1206

포장 그룹

II

분자량

100.2

Beilstein

1730763

Reaxy-Rn

1730763

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

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

• 용해성: Insoluble in water; Degree of Solubility in water: 2.93 mg/l 25 °C; Soluble in Ether,Chloroform,Alcohol
• 굴절률: 1.3855
• 발화점(°F): 71.6 °F
• 발화점(°C): (closed cup)-4℃
• 끓는점(°C): 98.4°C
• 녹는점(°C): -90.7°C
• 분자량: 100.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• 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: 19.200
• 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