9,9-Bis(4-amino-3-chlorophenyl)fluorene - ≥98% , CAS No.107934-68-9

CAS: 107934-68-9 Cat. No.: B152515 Molecular Weight: 417.33 EC Number: 407-560-9

GRADE & PURITY ≥98%

Synonyms

DTXSID60619152 | Benzenamine, 4,4'-(9H-fluoren-9-ylidene)bis(2-chloro- | 4,4/'-(9H-Fluoren-9-ylidene)bis(2-chlorobenzenamine) | 4,4'-(9H-Fluorene-9,9-diyl)bis(2-chloroaniline) | BS-53114 | 4-[9-(4-AMINO-3-CHLOROPHENYL)FLUOREN-9-YL]-2-CHLOROANILINE | 9,9-B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID60619152 | Benzenamine, 4, 4'-(9H-fluoren-9-ylidene)bis(2-chloro- | 4, 4/'-(9H-Fluoren-9-ylidene)bis(2-chlorobenzenamine) | 4, 4'-(9H-Fluorene-9, 9-diyl)bis(2-chloroaniline) | BS-53114 | 4-[9-(4-AMINO-3-CHLOROPHENYL)FLUOREN-9-YL]-2-CHLOROANILINE | 9, 9-B

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769060
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)Cl)C5=CC(=C(C=C5)N)Cl
• IUPAC Name: 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
• InChIKey: CIZUMWWHWPJAAK-UHFFFAOYSA-N
• INCHI: 1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)N)Cl)C5=CC(=C(C=C5)N)Cl
• Molecular Weight: 417.33
• Reaxy-Rn: 13191385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13191385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Primary amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: Insoluble in water; Soluble in Tetrahydrofuran; Slightly soluble in Chloroform,Methanol
• Melt Point(°C): 200 °C
• Molecular Weight: 417.300 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 416.085 Da
• Monoisotopic Mass: 416.085 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 533.000
• 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