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

CAS: 108-77-0 Cat. No.: C118499 Fórmula: C₃Cl₃N₃ Peso molecular: 184.41 Beilstein Registry Number: 124246 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

508811629

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811629

Sonrisas canónicas

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

Isómeros SMILES

C1(=NC(=NC(=N1)Cl)Cl)Cl

WGK Alemania

1

RTECS

XZ1400000

Número ONU

2670

Grupo de embalaje

II

Peso molecular

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
    • Clase Triazines
      • Subclass 1,3,5-triazines
        • Level5 Halo-S-triazines
          • Level6 Chloro-s-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in acetone, diethyl ether, dioxane, chloroform, carbon tetrachloride and ketones. Slightly soluble in methanol. Insoluble in cold water.
• Sensibilidad: Air and moisture sensitive.
• Punto de inflamación (°F): >392 °F
• Punto de inflamación (°C): >200 °C
• Punto de ebullición (°C): 190°C
• Punto de fusión (°C): 145-147°C
• Peso molecular: 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