3-Bromo-2-methylbenzaldehyde - ≥98% , CAS No.83647-40-9

CAS: 83647-40-9 Cat. No.: B186829 Summenformel: C₈H₇BrO Molekulargewicht: 199.04 EG-Nummer: 852-126-8

GRADE & PURITY ≥98%

Synonyms

DS-17148 | HHVUFPUWPWOWOA-UHFFFAOYSA-N | AKOS014313014 | EN300-217671 | 3-BROMO-2-METHYLBENZALDEHYDE | 3-bromo-2-methyl-benzaldehyde | Benzaldehyde, 3-bromo-2-methyl- | SY258266 | FT-0761499 | Z1255373549 | DTXSID80439955 | 3- BROMO-2-METHYL- BENZALDEHYDE

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

DS-17148 | HHVUFPUWPWOWOA-UHFFFAOYSA-N | AKOS014313014 | EN300-217671 | 3-BROMO-2-METHYLBENZALDEHYDE | 3-bromo-2-methyl-benzaldehyde | Benzaldehyde, 3-bromo-2-methyl- | SY258266 | FT-0761499 | Z1255373549 | DTXSID80439955 | 3- BROMO-2-METHYL- BENZALDEHYDE

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

504765471

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765471

Kanonisches Lächeln

CC1=C(C=CC=C1Br)C=O

IUPAC Name

3-bromo-2-methylbenzaldehyde

InChIKey

HHVUFPUWPWOWOA-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CC1=C(C=CC=C1Br)C=O

Molekulargewicht

199.04

Reaxy-Rn

6797931

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6797931&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 Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl-aldehyde - Aryl bromide - Aryl halide - Organobromide - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen 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

• Empfindlichkeit: air sensitive
• 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 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 83647-40-9, the molecular formula is C8H7BrO, and the molecular weight is 199.04 g/mol. InChIKey HHVUFPUWPWOWOA-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.