5-Bromo-5-nitro-1,3-dioxane - Moligand™,≥98% , CAS No.30007-47-7

CAS: 30007-47-7 Cat. No.: B113806 Peso molecular: 212 Número EC: 250-001-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,3-Dioxane, 5-bromo-5-nitro- | 5-BROMO-5-NITRO-1,3-DIOXANE [INCI] | FT-0620143 | Bronidox L | EN300-7381687 | DTXCID9024560 | XVBRCOKDZVQYAY-UHFFFAOYSA-N | 5-Brom-5-nitro-1,3-dioxan [German] | 5-Bromo-5-nitro-m-dioxane | Bronidox | U184I9QBNM | 5-Bromo-5

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Product Introduction

5-Bromo-5-nitro-1,3-dioxane is a bromine containing preservative commonly used in cosmetic products.

Application

5-Bromo-5-nitro-1,3-dioxane may be used as an analytical reference standard for the determination of the analyte in rinse-off cosmetics by solid-phase microextraction gas chromatography with microelectron-capture detection method (SPME-GC-μECD).

Specifications

Sinónimos

1, 3-Dioxane, 5-bromo-5-nitro- | 5-BROMO-5-NITRO-1, 3-DIOXANE [INCI] | FT-0620143 | Bronidox L | EN300-7381687 | DTXCID9024560 | XVBRCOKDZVQYAY-UHFFFAOYSA-N | 5-Brom-5-nitro-1, 3-dioxan [German] | 5-Bromo-5-nitro-m-dioxane | Bronidox | U184I9QBNM | 5-Bromo-5

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1C(COCO1)([N+](=O)[O-])Br
• IUPAC Name: 5-bromo-5-nitro-1,3-dioxane
• InChIKey: XVBRCOKDZVQYAY-UHFFFAOYSA-N
• INCHI: 1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
• Isómeros SMILES: C1C(COCO1)([N+](=O)[O-])Br
• WGK Alemania: 3
• RTECS: JG9650000
• Número ONU: 3261
• Grupo de embalaje: III
• Peso molecular: 212
• Reaxy-Rn: 4668673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4668673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxane - C-nitro compound - Organic nitro compound - Acetal - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Alkyl bromide - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light & Air & Heat sensitive
• Índice de refracción: 1.435~1.437
• Punto de fusión (°C): 61°C
• Peso molecular: 212.000 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 210.948 Da
• Monoisotopic Mass: 210.948 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 139.000
• 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