Cas no 1806352-38-4 (2,5-Difluoro-3-nitrophenylacetonitrile)
1806352-38-4 structure
Product Name:2,5-Difluoro-3-nitrophenylacetonitrile
CAS No:1806352-38-4
MF:C8H4F2N2O2
MW:198.126368522644
CID:4707617
Update Time:2023-08-15
2,5-Difluoro-3-nitrophenylacetonitrile Chemical and Physical Properties
Names and Identifiers
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- 2,5-Difluoro-3-nitrophenylacetonitrile
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- Inchi： 1S/C8H4F2N2O2/c9-6-3-5(1-2-11)8(10)7(4-6)12(13)14/h3-4H,1H2
- InChI Key： SOSKCWMWRWZZSC-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=CC=1CC#N)F)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 270
- Topological Polar Surface Area: 69.6
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Melting Point: 85℃
- Boiling Point: 338.3±37.0 °C at 760 mmHg
- Flash Point: 158.4±26.5 °C
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
2,5-Difluoro-3-nitrophenylacetonitrile Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2,5-Difluoro-3-nitrophenylacetonitrile Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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