2082-64-6 Thiocyanic acid, 4-chlorobenzyl ester Thiocyanic acid, (4-chlorophenyl)methyl ester (8CI) 0-06-00-00466 (Beilstein Handbook Reference) BRN 2209283 4-Chlor-benzyl-thiocyanat [German] 4-Chlorobenzylthiocyanate NSC 56501 4-Chlor-benzyl-thiocyanat CAS 2082-64-6

Purity 97%+In StockPharmaceutical Standards
CAS No.2082-64-6
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2082-64-6 Thiocyanic acid, 4-chlorobenzyl ester Thiocyanic acid, (4-chlorophenyl)methyl ester (8CI) 0-06-00-00466 (Beilstein Handbook Reference) BRN 2209283 4-Chlor-benzyl-thiocyanat [German] 4-Chlorobenzylthiocyanate NSC 56501 4-Chlor-benzyl-thiocyanat CAS 2082-64-6 chemical structure

Description

2082-64-6 Thiocyanic acid, 4-chlorobenzyl ester Thiocyanic acid, (4-chlorophenyl)methyl ester (8CI) 0-06-00-00466 (Beilstein Handbook Reference) BRN 2209283 4-Chlor-benzyl-thiocyanat [German] 4-Chlorobenzylthiocyanate NSC 56501 4-Chlor-benzyl-thiocyanat (CAS 2082-64-6), molecular formula C8H6ClNS and molecular weight 183.66 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2082-64-6 Thiocyanic acid, 4-chlorobenzyl ester Thiocyanic acid, (4-chlorophenyl)methyl ester (8CI) 0-06-00-00466 (Beilstein Handbook Reference) BRN 2209283 4-Chlor-benzyl-thiocyanat [German] 4-Chlorobenzylthiocyanate NSC 56501 4-Chlor-benzyl-thiocyanat (C8H6ClNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 183.66 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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