4-Bromo-3-nitrobenzaldehyde - ≥97% , CAS No.163596-75-6

CAS: 163596-75-6 Cat. No.: B124178 Summenformel: BrC₆H₃(NO₂)CHO Molekulargewicht: 230.02 EG-Nummer: 626-849-2

GRADE & PURITY ≥97%

Synonyms

AG-690/15433594 | AKOS000113388 | Benzaldehyde, 4-?bromo-?3-?nitro- | 4-Bromo-3-nitrobenzaldehyde | 4-Bromo-3-nitro-benzaldehyde | SY046577 | Z56995140 | SAFSVELFSYQXOV-UHFFFAOYSA-N | 4-Bromo-3-nitrobenzaldehyde, 97% | BBL023087 | EN300-09880 | J-514747 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

AG-690/15433594 | AKOS000113388 | Benzaldehyde, 4-?bromo-?3-?nitro- | 4-Bromo-3-nitrobenzaldehyde | 4-Bromo-3-nitro-benzaldehyde | SY046577 | Z56995140 | SAFSVELFSYQXOV-UHFFFAOYSA-N | 4-Bromo-3-nitrobenzaldehyde, 97% | BBL023087 | EN300-09880 | J-514747 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504760180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760180
• Kanonisches Lächeln: C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br
• IUPAC Name: 4-bromo-3-nitrobenzaldehyde
• InChIKey: SAFSVELFSYQXOV-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
• Isomere SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br
• WGK Deutschland: 3
• Molekulargewicht: 230.02
• Reaxy-Rn: 2047885
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047885&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitroaromatic compound - Benzaldehyde - Benzoyl - Bromobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Aldehyde - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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
• Schmelzpunkt (°C): 104-108°C
• Molekulargewicht: 230.020 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.937 Da
• Monoisotopic Mass: 228.937 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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 ≥97% 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 163596-75-6, the molecular formula is C7H4BrNO3, and the molecular weight is 230.02 g/mol. InChIKey SAFSVELFSYQXOV-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.