Cas no 6136-62-5 (3-Benzoylbenzonitrile)
3-Benzoylbenzonitrile structure
Product Name:3-Benzoylbenzonitrile
CAS No:6136-62-5
MF:C14H9NO
MW:207.227363348007
CID:527897
Update Time:2026-04-29
3-Benzoylbenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Benzoylbenzonitrile
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Computed Properties
- Exact Mass: 207.06847
- Monoisotopic Mass: 207.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 40.9A^2
Experimental Properties
- Density: 1.19
- Boiling Point: 365.8°C at 760 mmHg
- Flash Point: 175°C
- Refractive Index: 1.616
- PSA: 40.86
3-Benzoylbenzonitrile Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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