3,6-Dibromo-2-fluorobenzaldehyde - ≥97% , CAS No.870703-68-7

CAS: 870703-68-7 Cat. No.: D469770 Formula: C₇H₃Br₂FO Peso molecolare: 281.9 Numero EC: 624-662-0

GRADE & PURITY ≥97%

Synonyms

BS-42253 | IWLKVQWSDXDHAW-UHFFFAOYSA-N | MFCD08276775 | 3,6-Dibromo-2-fluorobenzaldehyde | A862913 | DTXSID60584659 | 3,6-Dibromo-2-fluorobenzaldehyde, 97% | SCHEMBL1418396 | SY066929

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

BS-42253 | IWLKVQWSDXDHAW-UHFFFAOYSA-N | MFCD08276775 | 3,6-Dibromo-2-fluorobenzaldehyde | A862913 | DTXSID60584659 | 3,6-Dibromo-2-fluorobenzaldehyde, 97% | SCHEMBL1418396 | SY066929

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504768299

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768299

Sorrisi canonici

C1=CC(=C(C(=C1Br)C=O)F)Br

IUPAC Name

3,6-dibromo-2-fluorobenzaldehyde

InChIKey

IWLKVQWSDXDHAW-UHFFFAOYSA-N

INCHI

1S/C7H3Br2FO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

Isomeri SMILES

C1=CC(=C(C(=C1Br)C=O)F)Br

WGK Germania

3

Peso molecolare

281.9

Reaxy-Rn

10063046

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10063046&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Vinylogous halides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Fluorobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organobromide - Organofluoride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 281.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.851 Da
• Monoisotopic Mass: 279.853 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 870703-68-7, the molecular formula is C7H3Br2FO, and the molecular weight is 281.9 g/mol. InChIKey IWLKVQWSDXDHAW-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.