Cas no 79185-31-2 (Benzonitrile,4-[(4-chlorophenyl)methoxy]-)
![Benzonitrile,4-[(4-chlorophenyl)methoxy]- structure](https://ossimg.kuujia.com/scimg/79500/79185-31-2x500.png)
79185-31-2 structure
Product Name:Benzonitrile,4-[(4-chlorophenyl)methoxy]-
CAS No:79185-31-2
MF:C14H10ClNO
MW:243.688302516937
CID:554599
PubChem ID:2735718
Update Time:2025-04-19
Benzonitrile,4-[(4-chlorophenyl)methoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-[(4-chlorophenyl)methoxy]-
- 4-[(4-CHLOROBENZYL)OXY]BENZONITRILE
- 4-[(4-chlorophenyl)methoxy]benzonitrile
- 4-(4-Chlorobenzyloxy)benzonitrile
- Maybridge1_006070
- 79185-31-2
- FT-0617310
- DTXSID90370901
- CCG-1871
- HMS558L20
- MFCD01935684
- SR-01000641227-1
- Oprea1_541637
- AKOS000198034
- SCHEMBL6980988
-
- Inchi： 1S/C14H10ClNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
- InChI Key： YZXBHIMDKJEWFS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)COC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 243.04500
- Monoisotopic Mass: 243.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 3.7
- Topological Polar Surface Area: 33?2
Experimental Properties
- Density: 1.25
- Melting Point: 99 °C
- Boiling Point: 401.9°C at 760 mmHg
- Flash Point: 196.9°C
- Refractive Index: 1.609
- PSA: 33.02000
- LogP: 3.79068
Benzonitrile,4-[(4-chlorophenyl)methoxy]- Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
Benzonitrile,4-[(4-chlorophenyl)methoxy]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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