Chloroform-d - ≥99.8 atom% D, contains 0.03 % (v/v) TMS , CAS No.865-49-6

CAS: 865-49-6 Cat. No.: C109594 Formula: CDCl₃ Molecular Weight: 120.38 Beilstein Registry Number: 1697633 EC Number: 212-742-4

GRADE & PURITY ≥99.8 atom% D, contains 0.03 % (v/v) TMS

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,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

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 |

Specifications & Purity

≥99.8 atom% D, contains 0.03 % (v/v) TMS

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99.8 atom% D

Names and Identifiers

Pubchem Sid

508813882

Canonical Smiles

C(Cl)(Cl)Cl

IUPAC Name

trichloro(deuterio)methane

InChIKey

HEDRZPFGACZZDS-MICDWDOJSA-N

INCHI

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

Isomeric SMILES

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

WGK Germany

3

Alternate CAS

67-66-3（unlabelled）

UN Number

1888

Packing Group

III

Molecular Weight

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
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light and Moisture sensitive
• Refractive Index: 1.444
• Boil Point(°C): 60.8°C
• Melt Point(°C): -64°C
• Molecular Weight: 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