n-Heptane - Ultra dry, ≥99%, water≤10 ppm , CAS No.142-82-5

CAS: 142-82-5 Cat. No.: H1520953 분자식: C₇H₁₆ 분자량: 100.2 Beilstein Registry Number: 1730763 EC 번호: 205-563-8

GRADE & PURITY Ultra dry, ≥99%, water≤10 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

사양 및 순도

Ultra dry, ≥99%, water≤10 ppm

보관 조건

Room temperature

배송

FedEx DG Service

등급

Ultra dry

순수함

≥99%

이름과 식별자

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

화학 및 물리적 특성

• 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