Chloroform-d - ≥99.5%,≥99.96 atom% D, contains 0.03 % (v/v) TMS , CAS No.865-49-6

CAS: 865-49-6 Cat. No.: C776739 Summenformel: CDCl₃ Molekulargewicht: 120.38 Beilstein Registry Number: 1697633 EG-Nummer: 212-742-4

GRADE & PURITY ≥99.5%,≥99.96 atom% D, contains 0.03 % (v/v) TMS

Synonyms

Deuterochloroform

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Übersicht

Chloroform-d (deuterochloroform, CDCl 3 ) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. It may be synthesized by reacting trichloroacetophenone and sodium deuteroxide. The influence of the number of pulses on its multiphoton decomposition (MPD) has been studied. Infrared spectral studies of C-D stretching and bending motions of CDCl 3 in different solvents have been investigated. The effect of chloroform-d on the interaction of water with activated carbons has been analyzed. The dependence of molecular reorientation of deuterated chloroform on pressure and temperature has been studied by Raman spectroscopy.

Application

Chloroform-d may be used in the synthesis of dichlorofluoromethane- d .

Specifications

Synonyme

Deuterochloroform

Spezifikationen & Reinheit

≥99.5%,≥99.96 atom% D, contains 0.03 % (v/v) TMS

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99.5%,≥99.96 atom% D

Namen und Kennungen

Kanonisches Lächeln

C(Cl)(Cl)Cl

IUPAC Name

trichloro(deuterio)methane

InChIKey

HEDRZPFGACZZDS-MICDWDOJSA-N

INCHI

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

Isomere SMILES

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

WGK Deutschland

3

Alternative CAS-Nummer

67-66-3（unlabelled）

UN-Nummer

1888

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic ；Light sensitive；Moisture sensitive
• Brechungsindex: 1.444
• Siedepunkt (°C): 60.8°C
• Schmelzpunkt (°C): -64°C
• Molekulargewicht: 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