Dibromochloroacetaldehyde - ≥90% , CAS No.64316-11-6

CAS: 64316-11-6 Cat. No.: C388500 Molecular Weight: 236.29

GRADE & PURITY ≥90%

Synonyms

SFWAQPWRFZOPKA-UHFFFAOYSA-N | Chlorodibromoacetaldehyde | Dibromchloracetaldehyd | Dibromo(chloro)acetaldehyde | dibromochloroacetaldehyde | Acetaldehyde, 2,2-dibromo-2-chloro- | AKOS040758253 | SCHEMBL76057 | 2,2-dibromo-2-chloroacetaldehyde | Dibromo(ch

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Dibromochloroacetaldehyde belongs to trihalogenated acetaldehyde and is a byproduct in drinking water. Dibromochloroacetaldehyde has genotoxicity.

Specifications

Synonyms

SFWAQPWRFZOPKA-UHFFFAOYSA-N | Chlorodibromoacetaldehyde | Dibromchloracetaldehyd | Dibromo(chloro)acetaldehyde | dibromochloroacetaldehyde | Acetaldehyde, 2, 2-dibromo-2-chloro- | AKOS040758253 | SCHEMBL76057 | 2, 2-dibromo-2-chloroacetaldehyde | Dibromo(ch

Specifications & Purity

≥90%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488188530
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188530
• Canonical Smiles: C(=O)C(Cl)(Br)Br
• IUPAC Name: 2,2-dibromo-2-chloroacetaldehyde
• InChIKey: SFWAQPWRFZOPKA-UHFFFAOYSA-N
• INCHI: 1S/C2HBr2ClO/c3-2(4,5)1-6/h1H
• Isomeric SMILES: C(=O)C(Cl)(Br)Br
• Molecular Weight: 236.29
• Reaxy-Rn: 1743640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Carbonyl group - Alkyl halide - Alkyl chloride - Alkyl bromide - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 236.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 235.806 Da
• Monoisotopic Mass: 233.808 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 62.600
• 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