Chloroform-d - ≥99.8 atom%D , CAS No.865-49-6

CAS: 865-49-6 Cat. No.: C109595 分子式: CDCl₃ 分子量: 120.38 Beilstein Registry Number: 1697633 EC番号: 212-742-4

グレード＆純度 ≥99.8 atom% D

Synonyms

Chloroform-d, 99.8 atom % D, contains 0.1 % (v/v) TMS | NSC-74126 | t-Butylhydroperoxide | deuteriotrichloromethane | Genetron 133a | DTXSID50904766 | C1423 | Chloroform-d, >=99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Product Introduction

Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the ν1 and ν2 bands of CHCl3 and CDCl3.

Application

Chloroform-d has been employed as solvent in a 1H NMR (Proton Nuclear Magnetic Resonance) spectroscopic study. It has been employed as solvent during the 31PNMR (Phosphorus-31 nuclear magnetic resonance) spectral investigation of triphenyl phosphate and tris(2-chloroethyl) phosphate. It has also been used as the deuterated solvent in the 1H NMR spectral studies of 2-(4-bromobenzyl)-3-hydroxypropanoic acid and 3-hydroxy-2-(4-methoxybenzyl)propanoic acid. It has also been used as the deuterated solvent for the 1HNMR spectral studies of 3,3′-dihydroxy-4,4′-diamino-biphenyl (HAB) and 2,2′-bis-(3,4-dicarboxy-phenyl) hexafluoropropane dianhydride (6FDA) polyimide.

仕様

同義語

Chloroform-d, 99.8 atom % D, contains 0.1 % (v/v) TMS | NSC-74126 | t-Butylhydroperoxide | deuteriotrichloromethane | Genetron 133a | DTXSID50904766 | C1423 | Chloroform-d, >=99.8 atom % D, contains 0.5 wt. % silver foil as stabilizer, 0.03 % (v/v) TMS |

仕様と純度

≥99.8 atom%D

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99.8 atom% D

Product Line

C109595-10×0.6ml

名前と識別子

パブケム・シド

508813881

カノニカル・スマイル

C(Cl)(Cl)Cl

IUPAC Name

trichloro(deuterio)methane

InChIKey

HEDRZPFGACZZDS-MICDWDOJSA-N

INCHI

1S/CHCl3/c2-1(3)4/h1H/i1D

異性体SMILES

[2H]C(Cl)(Cl)Cl

WGKドイツ

3

代替CAS番号

67-66-3（unlabelled）

UN番号

1888

包装グループ

III

分子量

120.38

Beilstein

1697633

Reaxy-Rn

1731042

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731042&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Hydrocarbon derivative - Organochloride - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• External Descriptors: one-carbon compound - deuterated compound - chloromethanes

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

化学的性質と物理的性質

• 溶解度: Miscible with organic solvents ethyl acetate, acetone.
• 感度: Light and Moisture sensitive;Air sensitive
• 屈折率: 1.444
• 沸点（°C）: 60.8°C
• 融点（°C）: -64°C
• 分子量: 120.380 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.921 Da
• Monoisotopic Mass: 118.921 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 8.000
• Isotope Atom Count: 1
• 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