Bromal - ≥96%(GC) , CAS No.115-17-3

CAS: 115-17-3 Cat. No.: B151878 Peso molecular: 280.74 Beilstein Registry Number: 1098610 Número EC: 204-067-9

GRADE & PURITY ≥96%(GC)

Synonyms

DTXCID901667 | EN300-19767 | 2,2,2-Tribromoacetaldehyde | AKOS009031566 | CAS-115-17-3 | NSC66406 | NSC-66406 | InChI=1/C2HBr3O/c3-2(4,5)1-6/h1 | D92328 | BROMAL [MI] | W2WDI7648E | Acetaldehyde, 2,2,2-tribromo- | Bromal | Tox21_200535 | UNII-W2WDI7648E |

Storage

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

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

DTXCID901667 | EN300-19767 | 2, 2, 2-Tribromoacetaldehyde | AKOS009031566 | CAS-115-17-3 | NSC66406 | NSC-66406 | InChI=1/C2HBr3O/c3-2(4, 5)1-6/h1 | D92328 | BROMAL [MI] | W2WDI7648E | Acetaldehyde, 2, 2, 2-tribromo- | Bromal | Tox21_200535 | UNII-W2WDI7648E |

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

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

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

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504751636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751636
• Sonrisas canónicas: C(=O)C(Br)(Br)Br
• IUPAC Name: 2,2,2-tribromoacetaldehyde
• InChIKey: YTGSYRVSBPFKMQ-UHFFFAOYSA-N
• INCHI: 1S/C2HBr3O/c3-2(4,5)1-6/h1H
• Isómeros SMILES: C(=O)C(Br)(Br)Br
• WGK Alemania: 3
• RTECS: AB3237500
• Número ONU: 2927
• Grupo de embalaje: I
• Peso molecular: 280.74
• Beilstein: 1098610
• Reaxy-Rn: 1098614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098614&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Organic oxides Hydrocarbon derivatives Alkyl bromides Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Alkyl halide - Alkyl bromide - Aldehyde - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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 water; Soluble in Ether,Alcohol,Acetone
• Sensibilidad: Light & Air sensitiv
• Índice de refracción: 1.584
• Punto de inflamación (°F): 149 °F
• Punto de inflamación (°C): 65°C(lit.)
• Punto de ebullición (°C): 174°C(lit.)
• Peso molecular: 280.740 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 279.756 Da
• Monoisotopic Mass: 277.758 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 54.300
• 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

Referencias

1. Jie Yang, Yandi Tang, Huimei Pan, Wei Ma, Wang Luo, Baiyang Chen, Yinan Bu.  (2022)  Precipitating halides by silver carbonate: A facile pretreatment method to enable total organic halogen analysis in water.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122461]