3-Bromo-5-hydroxybenzaldehyde - ≥98% , CAS No.199177-26-9

CAS: 199177-26-9 Cat. No.: B191889 Summenformel: C₇H₅BrO₂ Molekulargewicht: 201.02 EG-Nummer: 894-863-8

GRADE & PURITY ≥98%

Synonyms

AB29745 | 3-BROMO-5-HYDROXYBENZALDEHYDE | SY108236 | Z1269206565 | A879935 | XVFGERBEZKEGSS-UHFFFAOYSA-N | SCHEMBL668005 | GS-6020 | MFCD06797981 | CL9184 | 3-Bromo-5-hydroxybenzaldehyde, AldrichCPR | DTXSID90586363 | Benzaldehyde, 3-bromo-5-hydroxy- | AK

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AB29745 | 3-BROMO-5-HYDROXYBENZALDEHYDE | SY108236 | Z1269206565 | A879935 | XVFGERBEZKEGSS-UHFFFAOYSA-N | SCHEMBL668005 | GS-6020 | MFCD06797981 | CL9184 | 3-Bromo-5-hydroxybenzaldehyde, AldrichCPR | DTXSID90586363 | Benzaldehyde, 3-bromo-5-hydroxy- | AK

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504768470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768470
• Kanonisches Lächeln: C1=C(C=C(C=C1O)Br)C=O
• IUPAC Name: 3-bromo-5-hydroxybenzaldehyde
• InChIKey: XVFGERBEZKEGSS-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrO2/c8-6-1-5(4-9)2-7(10)3-6/h1-4,10H
• Isomere SMILES: C1=C(C=C(C=C1O)Br)C=O
• Molekulargewicht: 201.02
• Reaxy-Rn: 5920469
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5920469&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: M-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 201.020 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.947 Da
• Monoisotopic Mass: 199.947 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 199177-26-9, the molecular formula is C7H5BrO2, and the molecular weight is 201.02 g/mol. InChIKey XVFGERBEZKEGSS-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.