Atrazine-d5 - ≥98 atom% D,≥98%, used for Atrazine-d5 may be used as an analytical standard for the determination of atrazine in water and soil samples using isotope dilution gas chromatography coupled with mass spectrometry. Atrazine-d5 may also be used a

CAS: 163165-75-1 Cat. No.: A1452201 Formula: C₈H₉D₅ClN₅ Molecular Weight: 220.71 EC Number: 685-246-2

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

2-Chloro-4-pentadeuteroethylamino-6-isopropylamino-1,3,5-triazine | 6-Chloro-N2-(ethyl-d5)-N4-isopropyl-1,3,5-triazine-2,4-diamine | ethylaminoD5

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Chloro-4-pentadeuteroethylamino-6-isopropylamino-1,3,5-triazine | 6-Chloro-N2-(ethyl-d5)-N4-isopropyl-1,3,5-triazine-2,4-diamine | ethylaminoD5

Specifications & Purity

≥98 atom% D,≥98%

Application

Atrazine-d5 may be used as an analytical standard for the determination of atrazine in water and soil samples using isotope dilution gas chromatography coupled with mass spectrometry. Atrazine-d5 may also be used as an internal standard for the estimation

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98 atom% D,≥98%

Names and Identifiers

• Canonical Smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)C
• IUPAC Name: 6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• InChIKey: MXWJVTOOROXGIU-SGEUAGPISA-N
• INCHI: 1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i1D3,4D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)C
• WGK Germany: 3
• Alternate CAS: 1912-24-9（unlabelled）
• Molecular Weight: 220.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - N-aliphatic s-triazine - Chloro-s-triazine - Halo-s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• External Descriptors: Not available

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: Moisture sensitive;Light sensitive

Frequently Asked Questions

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 163165-75-1, the molecular formula is C8H9D5ClN5, and the molecular weight is 220.71 g/mol. InChIKey MXWJVTOOROXGIU-SGEUAGPISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.