CAS 3114-55-4: Chlorobenzene-d5

Description: Chlorobenzene-d5, with the CAS number 3114-55-4, is a deuterated form of chlorobenzene, where five hydrogen atoms are replaced by deuterium, an isotope of hydrogen. This compound is characterized by its aromatic structure, consisting of a benzene ring with a chlorine atom attached, which contributes to its chemical stability and reactivity. Chlorobenzene-d5 is a colorless liquid at room temperature, exhibiting a sweet, aromatic odor. It is primarily used as a solvent in various chemical reactions and as a starting material in the synthesis of other compounds. The presence of deuterium makes it valuable in NMR spectroscopy and other analytical techniques, as it provides distinct spectral signatures that can be used to trace reaction pathways or study molecular dynamics. Chlorobenzene-d5 is less toxic than its non-deuterated counterpart, but it should still be handled with care due to its potential environmental and health impacts. Proper storage and disposal methods are essential to mitigate any risks associated with its use.

Formula: C₆D₅Cl

InChI: InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChI key: InChIKey=MVPPADPHJFYWMZ-RALIUCGRSA-N

SMILES: ClC=1C=CC=CC1

Synonyms:

• 6-Chlorobenzene-1,2,3,4,5-d₅
• Benzene-1,2,3,4,5-d₅, 6-chloro-
• Benzene-d5, chloro-
• Benzene-d₅, chloro-
• Chloro(2H5)benzene
• Chlorobenzene-d₅
• Chloropentadeuterobenzene
• Perdeuteriochlorobenzene
• chloro(~2~H_5_)benzene

Chlorobenzene-d5 for NMR spectroscopy, 99 Atom %D

CAS: 3114-55-4

• Formula: HC₆Cl
• Molecular weight: 117.58