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

CAS: 64316-11-6 Cat. No.: C388500 분자식: C₂HBr₂ClO•(H₂O) 분자량: 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

개요

Product Describtion:

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

Specifications

동의어

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

사양 및 순도

≥90%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥90%

이름과 식별자

• Pubchem Sid: 488188530
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188530
• 정식 스마일: 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
• 이성체 SMILES: C(=O)C(Cl)(Br)Br
• 분자량: 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
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 64316-11-6, the molecular formula is C2HBr2ClO?(H2O), and the molecular weight is 236.29 g/mol. InChIKey SFWAQPWRFZOPKA-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.