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

CAS: 30007-47-7 Cat. No.: B113806 Fórmula: C₄H₆BrNO₄ Peso molecular: 212 Número CE: 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

Visão geral

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

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

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

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508809991

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809991

Sorrisos canónicos

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

SMILES isoméricas

C1C(COCO1)([N+](=O)[O-])Br

WGK Alemanha

3

RTECS

JG9650000

Número UN

3261

Grupo de embalagem

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
    • Classe Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Light & Air & Heat sensitive
• Índice de refração: 1.435~1.437
• Ponto de fusão (°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