9-(Bromomethyl)acridine [for HPLC Labeling] - ≥98%(HPLC) , CAS No.1556-34-9

CAS: 1556-34-9 Cat. No.: B153209 Molecular Weight: 272.15 EC Number: 626-458-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

9-(Bromomethyl)acridine | F1967-2580 | 9-(BROMOMETHYL)ACRIDINE [FOR HPLC LABELING] | DTXSID10165917 | Acridine, 9-(bromomethyl)- | AKOS016014269 | MZFYKBHQWLWIBI-UHFFFAOYSA-N | BAA55634 | J-009212 | FT-0768557 | T70339 | 9-(Bromomethyl)acridine, BioReagen

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

9-(Bromomethyl)acridine | F1967-2580 | 9-(BROMOMETHYL)ACRIDINE [FOR HPLC LABELING] | DTXSID10165917 | Acridine, 9-(bromomethyl)- | AKOS016014269 | MZFYKBHQWLWIBI-UHFFFAOYSA-N | BAA55634 | J-009212 | FT-0768557 | T70339 | 9-(Bromomethyl)acridine, BioReagen

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504757342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757342
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CBr
• IUPAC Name: 9-(bromomethyl)acridine
• InChIKey: MZFYKBHQWLWIBI-UHFFFAOYSA-N
• INCHI: 1S/C14H10BrN/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H,9H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CBr
• Molecular Weight: 272.15
• Reaxy-Rn: 159526
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159526&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 165°C(lit.)
• Molecular Weight: 272.140 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 271 Da
• Monoisotopic Mass: 271 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 221.000
• 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