Terbacil Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.5902-51-2

CAS: 5902-51-2 Cat. No.: T128283 Fórmula: C₉H₁₃ClN₂O₂ Peso molecular: 216.66 Beilstein Registry Number: 643054 Número EC: 227-595-1 PubChem CID: 22188

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

Compound 732 | NCGC00163865-05 | NCGC00254735-01 | SCHEMBL53799 | 5-Chloro-3-tert-butyl-6-methyluracil | NCGC00258796-01 | Q2404316 | TERBACIL [HSDB] | Experimental herbicide 732 | HMS1370H05 | NCGC00163865-03 | 3-tert-Butyl-5-chloro-6-methyl-2,4(1H,3H)-p

Storage

Room temperature

Shipped In

Normal

Descripción general

Pesticides Single Component Standards

Specifications

Sinónimos

Compound 732 | NCGC00163865-05 | NCGC00254735-01 | SCHEMBL53799 | 5-Chloro-3-tert-butyl-6-methyluracil | NCGC00258796-01 | Q2404316 | TERBACIL [HSDB] | Experimental herbicide 732 | HMS1370H05 | NCGC00163865-03 | 3-tert-Butyl-5-chloro-6-methyl-2,4(1H,3H)-p

Especificaciones y pureza

1000ug/ml in Purge and Trap Methanol

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl

IUPAC Name

3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione

InChIKey

NBQCNZYJJMBDKY-UHFFFAOYSA-N

INCHI

1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)

Isómeros SMILES

CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl

WGK Alemania

2

RTECS

YQ9360000

PubChem CID

22188

Peso molecular

216.66

Beilstein

643054

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Uracil herbicides

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 216.660 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.067 Da
• Monoisotopic Mass: 216.067 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 328.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5902-51-2, the molecular formula is C9H13ClN2O2, and the molecular weight is 216.66 g/mol. InChIKey NBQCNZYJJMBDKY-UHFFFAOYSA-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.