CAS 68661-11-0

Benzyl-2,3,4,5,6-d5 Chloride

Description:

Benzyl-2,3,4,5,6-d5 chloride is a deuterated derivative of benzyl chloride, where the hydrogen atoms on the benzyl group are replaced by deuterium isotopes. This compound is characterized by its molecular structure, which includes a benzyl group (C6H5CH2) attached to a chlorine atom. The presence of deuterium enhances its utility in various applications, particularly in NMR spectroscopy, where it serves as a useful internal standard due to its distinct spectral properties compared to its non-deuterated counterpart. The compound is typically a colorless to pale yellow liquid and is soluble in organic solvents. Its reactivity is similar to that of benzyl chloride, participating in nucleophilic substitution reactions. Due to the presence of chlorine, it can also act as a halogenating agent in organic synthesis. Safety precautions should be observed when handling this compound, as it may pose health risks similar to those associated with other chlorinated organic compounds.

Formula: C7H7Cl

InChI: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D

InChI key: KCXMKQUNVWSEMD-RALIUCGRSA-N

SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CCl)[2H])[2H]

Benzyl-2,3,4,5,6-d5 Chloride

CAS: 100-44-7, 68661-11-0

Formula: C₆D₅CH₂Cl

Purity: 99 atom % D

Color and Shape: Colorless-Pale Yellow Liquid

Molecular weight: 131.05501

Ref: 3U-D1652

Benzyl-d5 Chloride

Controlled Product

CAS: 68661-11-0

Applications A labelled isotope of Benzyl Chloride (B233675), which is an intermediate in the preparation of phenylacetic acid (1) (precursor to phamaceuticals) such as novel steroidal heterocycles as antibacterial agents (2). General precursor molecule to benzyl esters which are used as plasticizer, flavorants, and perfumes. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References 1. Qiu, Z. et al.: J. Nat. Gas. 2005 30 Mar:14(1) pp40-62. Abdelhalim, M. et al.; Steroids. 2007 May;72(5):459-65.

Formula: C₇D₅H₂Cl

Color and Shape: Neat

Molecular weight: 131.61

Ref: TR-B233677

Benzyl-2,3,4,5,6-d5 chloride

Controlled Product

CAS: 68661-11-0

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Formula: C₇H₇Cl

Purity: Min. 95%

Molecular weight: 131.61 g/mol

Ref: 3D-TCA66111