Cyanuric chloride - ≥99% , CAS No.108-77-0

CAS: 108-77-0 Cat. No.: C118499 Formula: C₃Cl₃N₃ Molecular Weight: 184.41 Beilstein Registry Number: 124246 EC Number: 203-614-9

GRADE & PURITY ≥99%

Synonyms

TCT | Tox21_202449 | EC 203-614-9 | NCGC00257057-01 | Trichlorocyanidine | Tricholorotriazine | 1,3,5-trichloro-2,4,6-triazine | Cyanuric trichloride | SCHEMBL20781 | 2,4,6-TRICHLORO-S-TRIAZINE [HSDB] | FT-0624144 | MFCD00006046 | NSC-3512 | 1,3,5-Triazin

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Overview

A reagent for conversion of alcohols to chlorides, used for immobilization of microorganisms and enzymes. Cyanuric chloride can be used as a reagent: In the preparation of acyl azides from carboxylic acids and sodium azide. For the conversion of carboxylic acids, N-Boc, N-Cbz, and N-Fmoc amino acids into corresponding alcohols. For the conversion of alcohols into the corresponding carbonyl compounds by alternative Swern oxidation reaction. It can also be employed as a catalyst in the Beckmann rearrangement of ketoximes into amides in the presence of ZnCl2.

Specifications

Synonyms

TCT | Tox21_202449 | EC 203-614-9 | NCGC00257057-01 | Trichlorocyanidine | Tricholorotriazine | 1,3,5-trichloro-2,4,6-triazine | Cyanuric trichloride | SCHEMBL20781 | 2,4,6-TRICHLORO-S-TRIAZINE [HSDB] | FT-0624144 | MFCD00006046 | NSC-3512 | 1,3,5-Triazin

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 508811629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811629
• Canonical Smiles: C1(=NC(=NC(=N1)Cl)Cl)Cl
• IUPAC Name: 2,4,6-trichloro-1,3,5-triazine
• InChIKey: MGNCLNQXLYJVJD-UHFFFAOYSA-N
• INCHI: 1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
• Isomeric SMILES: C1(=NC(=NC(=N1)Cl)Cl)Cl
• WGK Germany: 1
• RTECS: XZ1400000
• UN Number: 2670
• Packing Group: II
• Molecular Weight: 184.41
• Beilstein: 124246
• Reaxy-Rn: 124246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124246&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines
        • Level5 Halo-S-triazines
          • Level6 Chloro-s-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Halo-S-triazines
• Direct Parent: Chloro-s-triazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chloro-s-triazine - 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 chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
• External Descriptors: organochlorine compound - chloro-1,3,5-triazine

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetone, diethyl ether, dioxane, chloroform, carbon tetrachloride and ketones. Slightly soluble in methanol. Insoluble in cold water.
• Sensitivity: Air and moisture sensitive.
• Flash Point(°F): >392 °F
• Flash Point(°C): >200 °C
• Boil Point(°C): 190°C
• Melt Point(°C): 145-147°C
• Molecular Weight: 184.410 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.916 Da
• Monoisotopic Mass: 182.916 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.300
• 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