Isooctane - PureSpectra™,For spectroscopy UV-VIS , CAS No.540-84-1

CAS: 540-84-1 Cat. No.: I432868 분자식: C₈H₁₈ 분자량: 114.23 Beilstein Registry Number: 1696876 EC 번호: 208-759-1

등급 & 순도 PureSpectra™, For spectroscopy UV-VIS

Synonyms

2,4,4-Trimethylpentane | 2,2,4-Trimethylpentane, HPLC Grade | W-109087 | NSC 39117 | 2,2,4-Trimethylpentane, puriss. p.a., ACS reagent, >=99.5% (GC) | DTXCID104370 | NCGC00258679-01 | CHEBI:62805 | Pentane, 2,2,4-trimethyl- | 2,2,4-Trimethylpentane, ACS r

Storage

Room temperature

Shipped In

FedEx DG Service

개요

General Description

Accurate analytic results in UV/VIS and infrared spectroscopy depend on the use of very pure solvents for sample preparation. The Uvasol solvents range has been specially designed for spectroscopy and other applications requiring solvents of the highest spectral purity. The refinement process allows a greater degree of security in applications and avoids misinterpretation of analytical results caused by traces of UV, IR and fluorescence contamination. Uvasol solvents offer best UV transmittance. In all specifications the minimum transmittance for 5 typical wavelengths are identified.Specifications': 'Saturation Concentration in Air: 239 g/m3 (20 °C)

사양

동의어

2,4,4-Trimethylpentane | 2,2,4-Trimethylpentane, HPLC Grade | W-109087 | NSC 39117 | 2,2,4-Trimethylpentane, puriss. p.a., ACS reagent, >=99.5% (GC) | DTXCID104370 | NCGC00258679-01 | CHEBI:62805 | Pentane, 2,2,4-trimethyl- | 2,2,4-Trimethylpentane, ACS r

사양 및 순도

PureSpectra™,For spectroscopy UV-VIS

보관 조건

Room temperature

배송

FedEx DG Service

등급

For spectroscopy UV-VIS, PureSpectra™

이름과 식별자

Pubchem Sid

504752026

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752026

정식 스마일

CC(C)CC(C)(C)C

IUPAC Name

2,2,4-trimethylpentane

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

이성체 SMILES

CC(C)CC(C)(C)C

WGK 독일

2

RTECS

SA3320000

UN 번호

1262

포장 그룹

II

분자량

114.23

Beilstein

1696876

Reaxy-Rn

1696876

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696876&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: alkane

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

• 굴절률: 1.39157
• 발화점(°C): -12℃
• 끓는점(°C): 99.3°C
• 녹는점(°C): -107.4°C
• 분자량: 114.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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