2,4,5,6-Tetrachloropyrimidine - ≥98%(GC) , CAS No.1780-40-1

CAS: 1780-40-1 Cat. No.: T161692 Molecular Weight: 217.86 Beilstein Registry Number: 23(3/4)897 EC Number: 217-228-3 PubChem CID: 15690

COA

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2,4,5,6-Tetrachloropyrimidine - ≥98%(GC) CAS No(1780-40-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%(GC)

Synonyms

2,4,5,6-Tetrachloropyrimidine, 97% | Tetrachloropyrimidine | PYRIMIDINE, 2,4,5,6-TETRACHLORO- | AC-10228 | NCI60_003135 | W-107821 | AI3-26568 | NSC 35123 | 2,4,5,6-Tetrachloropyrimidine | 2,4,5,6-tetrachloro-pyrimidine | NSC35123 | SY005512 | Z1269161184

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

2, 4, 5, 6-Tetrachloropyrimidine, 97% | Tetrachloropyrimidine | PYRIMIDINE, 2, 4, 5, 6-TETRACHLORO- | AC-10228 | NCI60_003135 | W-107821 | AI3-26568 | NSC 35123 | 2, 4, 5, 6-Tetrachloropyrimidine | 2, 4, 5, 6-tetrachloro-pyrimidine | NSC35123 | SY005512 | Z1269161184

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid	488182163
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182163
Canonical Smiles	C1(=C(N=C(N=C1Cl)Cl)Cl)Cl
IUPAC Name	2,4,5,6-tetrachloropyrimidine
InChIKey	GVBHCMNXRKOJRH-UHFFFAOYSA-N
INCHI	1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7
Isomeric SMILES	C1(=C(N=C(N=C1Cl)Cl)Cl)Cl
RTECS	UV9745000
PubChem CID	15690
Molecular Weight	217.86
Beilstein	23(3/4)897
Reaxy-Rn	145778

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Halopyrimidines
        Level6 2-halopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Halopyrimidines
Direct Parent	2-halopyrimidines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
G23181022	Certificate of Analysis	Jul 11, 2023	T161692
G23181028	Certificate of Analysis	Jul 11, 2023	T161692
G23181031	Certificate of Analysis	Jul 11, 2023	T161692
G23181040	Certificate of Analysis	Jul 11, 2023	T161692
G23181042	Certificate of Analysis	Jul 11, 2023	T161692
G23181071	Certificate of Analysis	Jul 11, 2023	T161692
G23181300	Certificate of Analysis	Jul 11, 2023	T161692
G23181301	Certificate of Analysis	Jul 11, 2023	T161692
G23181308	Certificate of Analysis	Jul 11, 2023	T161692
G23181315	Certificate of Analysis	Jul 11, 2023	T161692

Sensitivity	Moisture Sensitive
Melt Point(°C)	68 °C
Molecular Weight	217.900 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	217.879 Da
Monoisotopic Mass	215.882 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110.000
Isotope Atom Count	0
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