4-Chlorobiphenyl

• CAS: 2051-62-9
• Catalog Number: ACM2051629
• Category: Other
• Molecular Weight: 188.65
• Molecular Formula: C12H9Cl
• Description: 4-chlorobiphenyl appears as colorless crystals or shiny off-white flakes. (NTP, 1992)
• Synonyms: 4-Chloro-1,1'-biphenyl
• IUPAC Name: 1-chloro-4-phenylbenzene
• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
• InChI: InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
• InChI Key: FPWNLURCHDRMHC-UHFFFAOYSA-N
• Boiling Point: 556 °F at 760 mm Hg (NTP, 1992);292.9 °C
• Melting Point: 171.9 °F (NTP, 1992);78.8 °C
• Solubility: less than 1 mg/mL at 72° F (NTP, 1992);7.10e-06 M
• Complexity: 141
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 218-127-7
• Exact Mass: 188.0392
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 4.61 (LogP)
• Monoisotopic Mass: 188.0392
• NSC Number: 37066
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• UNII: QA22Z3NGLU
• UN Number: 3432
• Vapor Pressure: 1 mm Hg at 205.5 °F ; 10 mm Hg at 294.8° F; 760 mm Hg at 559.2° F (NTP, 1992);0.01 mmHg
• XLogP3: 4.6
• XLogP3-AA: 4.6