5-Bromosalicylaldehyde - ≥98%(GC) , CAS No.1761-61-1

CAS: 1761-61-1 Cat. No.: B132288 분자식: C₇H₅BrO₂ 분자량: 201.02 Beilstein Registry Number: 8,54 EC 번호: 217-167-2

등급 & 순도 ≥98%(GC)

Synonyms

5-Bromo-2-hydroxybenzaldehyde|5-Bromo-2-hydroxy-benzaldehyde|4-bromo-2-formylphenol|4-Fluoro-1-nitrobenzene|5-Bromo salicylaldehyde|3-BROMO-6-HYDROXYBENZALDEHYDE|alpha-Chloro-4-fluorotoluene|4-fluorobenzenesulfonic acid chloride|Ethanone, 1-(3-pyridinyl)-|2-Hydroxy-5-bromobenzaldehyde|2-hydroxy-5-bromo benzaldehyde|Benzaldehyde, 5-bromo-2-hydroxy-|Aniline, o-fluoro-|5-Bromosalicylaldehyde|5-bromo-salicylaldehyde|5-bromo-2-hydroxy benzaldehyde|5-Bromo-salicyclaldehyde|Salicylaldehyde, 5-bromo-

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

5-Bromosalicylaldehyde reacts with 1,2-bis(4-chloro-2-aminophenoxy)ethane to yield Schiff base ligand 1,2-bis(2-(5-bromo-2-hydroxybenzilidenamino)-4-chlorophenoxy)ethane. It is the starting reagent for the synthesis of diarylamino-substituted N-methyl tetrahydrosalen ligand

It was used for chemical derivatization during amine quantiifcation in poly (ethylene terephthalate) (PET) film and PET scaffold.

사양

동의어

5-Bromo-2-hydroxybenzaldehyde | 5-Bromo-2-hydroxy-benzaldehyde | 4-bromo-2-formylphenol | 4-Fluoro-1-nitrobenzene | 5-Bromo salicylaldehyde | 3-BROMO-6-HYDROXYBENZALDEHYDE | alpha-Chloro-4-fluorotoluene | 4-fluorobenzenesulfonic acid chloride | Ethanone, 1-(3-pyridinyl)- | 2-Hydroxy-5-bromobenzaldehyde | 2-hydroxy-5-bromo benzaldehyde | B Show more

사양 및 순도

≥98%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488184724

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184724

정식 스마일

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

IUPAC Name

5-bromo-2-hydroxybenzaldehyde

InChIKey

MKKSTJKBKNCMRV-UHFFFAOYSA-N

INCHI

1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

이성체 SMILES

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

WGK 독일

3

분자량

201.02

Beilstein

8,54

Reaxy-Rn

774710

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774710&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: P-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - 4-bromophenol - Benzoyl - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organobromide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: 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

관련 대상(인간)

PTP4A3 Tchem Protein-tyrosine phosphatase 4A3 (173 Activities)

Discover Target: PTP4A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Gaa Acidic alpha-glucosidase (551 Activities)

Discover Target: Gaa

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Air sensitive
• 녹는점(°C): 103-106°C
• 분자량: 201.020 g/mol
• XLogP3: 2.500
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1761-61-1, the molecular formula is C7H5BrO2, and the molecular weight is 201.02 g/mol. InChIKey MKKSTJKBKNCMRV-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.