4-bromo-5-nitroisoquinoline - ≥97% , CAS No.58142-46-4

CAS: 58142-46-4 Cat. No.: B635983 Summenformel: C₉H₅BrN₂O₂ Molekulargewicht: 253.06 EG-Nummer: 999-825-5 PubChem CID: 271280

GRADE & PURITY ≥97%

Synonyms

4-bromo-5-nitroisoquinoline | 4-Bromo-5-nitro-isoquinoline | 4-Bromo-5-nitroi-soquinoline | MFCD00234471 | AKOS022172776 | AC-907/25004849 | EN300-75823 | AMY26731 | NSC114746 | NSC-114746 | DS-17109 | SY076307 | SB37784 | 5-nitro-4-bromoisoquinoline | FT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-bromo-5-nitroisoquinoline | 4-Bromo-5-nitro-isoquinoline | 4-Bromo-5-nitroi-soquinoline | MFCD00234471 | AKOS022172776 | AC-907/25004849 | EN300-75823 | AMY26731 | NSC114746 | NSC-114746 | DS-17109 | SY076307 | SB37784 | 5-nitro-4-bromoisoquinoline | FT

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC2=CN=CC(=C2C(=C1)[N+](=O)[O-])Br

IUPAC Name

4-bromo-5-nitroisoquinoline

InChIKey

JAYGEXFKJUWRML-UHFFFAOYSA-N

INCHI

1S/C9H5BrN2O2/c10-7-5-11-4-6-2-1-3-8(9(6)7)12(13)14/h1-5H

Isomere SMILES

C1=CC2=CN=CC(=C2C(=C1)[N+](=O)[O-])Br

Alternative CAS-Nummer

58142-46-4

PubChem CID

271280

NSC-Nummer

114746

Molekulargewicht

253.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Nitroaromatic compounds Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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: 253.050 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.953 Da
• Monoisotopic Mass: 251.953 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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

How should this product be stored?

Store at room temperature.

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 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 58142-46-4, the molecular formula is C9H5BrN2O2, and the molecular weight is 253.06 g/mol. InChIKey JAYGEXFKJUWRML-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.