2-Bromo-5-methylbenzaldehyde - ≥98% , CAS No.90221-55-9

CAS: 90221-55-9 Cat. No.: B187963 Summenformel: C₈H₇BrO Molekulargewicht: 199.05 EG-Nummer: 691-044-5

GRADE & PURITY ≥98%

Synonyms

A860876 | Z871833034 | SY110421 | FT-0687006 | EN300-57063 | AM804522 | 2-Bromo-5-methylbenzaldehyde, AldrichCPR | AKOS006238806 | B5824 | UWGFRLQHWDMILE-UHFFFAOYSA-N | CL8258 | SCHEMBL135760 | GS-3993 | DTXSID10474354 | MFCD08669550 | 2-BROMO-5-METHYLBEN

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

A860876 | Z871833034 | SY110421 | FT-0687006 | EN300-57063 | AM804522 | 2-Bromo-5-methylbenzaldehyde, AldrichCPR | AKOS006238806 | B5824 | UWGFRLQHWDMILE-UHFFFAOYSA-N | CL8258 | SCHEMBL135760 | GS-3993 | DTXSID10474354 | MFCD08669550 | 2-BROMO-5-METHYLBEN

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488197783

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197783

Kanonisches Lächeln

CC1=CC(=C(C=C1)Br)C=O

IUPAC Name

2-bromo-5-methylbenzaldehyde

InChIKey

UWGFRLQHWDMILE-UHFFFAOYSA-N

INCHI

1S/C8H7BrO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,1H3

Isomere SMILES

CC1=CC(=C(C=C1)Br)C=O

Molekulargewicht

199.05

Reaxy-Rn

2352722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2352722&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Toluenes Bromobenzenes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl-aldehyde - Aryl bromide - Aryl halide - Vinylogous halide - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 100 °C
• Schmelzpunkt (°C): 43 °C
• Molekulargewicht: 199.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.968 Da
• Monoisotopic Mass: 197.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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 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 90221-55-9, the molecular formula is C8H7BrO, and the molecular weight is 199.05 g/mol. InChIKey UWGFRLQHWDMILE-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.