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Date
1 substances in Reaxys
2017-06-15 08h:58m:52s (EST)
Cl
1. Query
O
O N Cl
O
Search as: As drawn
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Reaxys ID 2213721 View in Reaxys
1/1 CAS Registry Number: 25784-91-2 Chemical Name: 2-chloro-5-nitrobenzoylchloride; 2-chloro-5-nitro-benzoyl chloride; 3-nitro-6-chloro-benzoylchloride; 2chloro-5-nitrobenzoyl chloride; 2-Chlor-5-nitro-benzoylchlorid; 2-Chloro-5-nitro-benzoyl chloride; 2-Chloro-5-nitrobenzoyl chloride Linear Structure Formula: C7H3O3Cl2N Molecular Formula: C7H3Cl2NO3 Molecular Weight: 220.012 Type of Substance: isocyclic InChI Key: OGLKKYALUKXVPQ-UHFFFAOYSA-N Note:
Cl O
N Cl
O
O
Substance Label (9) Label References 9
Kim, Darong; Won, Hee Yeon; Hwang, Eun Sook; Kim, Young-Kook; Choo, Hea-Young Park; Bioorganic and Medicinal Chemistry; vol. 25; nb. 12; (2017); p. 3127 - 3134, View in Reaxys
20
Ghosh, Krishna Kanta; Jeong, Yun-Mi; Kang, Nam-Young; Lee, JungYeol; Si Yan Diana, Wan; Kim, Jun-Young; Yoo, Jaeduk; Kim, Dohee; Kim, Yun Kyung; Chang, Young-Tae; Chemical Communications; vol. 51; nb. 45; (2015); p. 9336 - 9338, View in Reaxys
5
Miliutina, Mariia; Ivanov, Anton; Ejaz, Syeda Abida; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Viktor O.; Langer, Peter; RSC Advances; vol. 5; nb. 74; (2015); p. 60054 - 60078, View in Reaxys
1d
Nordmann, Jan; Eierhoff, Svenja; Denissen, Melanie; Mayer, Bernhard; Müller, Thomas J. J.; European Journal of Organic Chemistry; vol. 2015; nb. 23; (2015); p. 5128 - 5142, View in Reaxys
12
Muro, Beatriz; Reviriego, Felipe; Navarro, Pilar; Marin, Clotilde; Ramirez-Macias, Inmaculada; Rosales, Maria Jose; Sanchez-Moreno, Manuel; Aran, Vicente J.; European Journal of Medicinal Chemistry; vol. 74; (2014); p. 124 - 134, View in Reaxys
3
Henke, Adam; Srogl, Jiri; Journal of Organic Chemistry; vol. 73; nb. 19; (2008); p. 7783 - 7784, View in Reaxys
4 (R2=Cl)
Gong, Baoqing; Hong, Feng; Kohm, Cory; Bonham, Lynn; Klein, Peter; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 6; (2004); p. 1455 - 1459, View in Reaxys
1
Maddaford, Shawn P.; Motamed, Mina; Turner, Kevin B.; Choi, Min Soo K.; Ramnauth, Jailall; Rakhit, Suman; Hudgins, Robert R.; Fabris, Daniele; Johnson, Philip E.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 24; (2004); p. 5987 - 5990, View in Reaxys
4b
Vales; Lokshin; Pepe; Samat; Guglielmetti; Synthesis; nb. 16; (2001); p. 2419 - 2426, View in Reaxys
Patent-Specific Data (2) Location in Patent References Page/Page column
Patent; Genetech, Inc.; Curis, Inc.; Cai, Xiong; Qian, Changgeng; Zhai, Haixiao; US2014/18368; (2014); (A1) English, View in Reaxys; Patent; KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED; KASINA, Sudhakar; Somepalli, Venkateswarlu; Abrams, Paul G.; Gokaraju, Rama Raju; US2014/86837; (2014); (A1) English, View in Reaxys
Claim
Patent; Scarborough, Robert; Kalaritis, Panos; Yiannikouros, George; Cruskie JR., Michel P.; Sha, Dezhi; US2005/4377; (2005); (A1) English, View in Reaxys
Melting Point (8) 1 of 8
Melting Point [°C]
56 - 58
Location
supporting information
Srogl, Jiri; Hyvl, Jakub; Revesz, Agnes; Schroeder, Detlef; Chemical Communications; nb. 23; (2009); p. 3463 3465, View in Reaxys 2 of 8
Melting Point [°C]
55 - 57
Henke, Adam; Srogl, Jiri; Journal of Organic Chemistry; vol. 73; nb. 19; (2008); p. 7783 - 7784, View in Reaxys 3 of 8
Melting Point [°C]
60 - 62
Solvent (Melting Point)
petroleum ether
Guirguis, Dalal B.; Egyptian Journal of Chemistry; vol. 42; nb. 1; (1999); p. 91 - 97, View in Reaxys 4 of 8
Melting Point [°C]
58 - 58.5
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Burdulene et al.; Lietuvos TSR Mokslu Akademijos Darbai, Serija B: Chemija, Technika, Fizine Geografija; vol. 4; (1973); p. 55,58; Chem.Abstr.; vol. 80; nb. 36800b; (1974), View in Reaxys 5 of 8
Melting Point [°C]
60 - 61
Solvent (Melting Point)
benzene
PONCI; BARUFFINI; CROCI; GIALDI; Il Farmaco; edizione scientifica; vol. 18; (1963); p. 732 - 749, View in Reaxys 6 of 8
Melting Point [°C]
59 - 60
Patent; J. Vonkennel; DE1046629; (1958); Chem.Abstr.; vol. 55; nb. 4432g; (1961), View in Reaxys 7 of 8
Melting Point [°C]
59
Dey; Doraiswami; Journal of the Indian Chemical Society; vol. 10; (1933); p. 353,357, View in Reaxys 8 of 8
Melting Point [°C]
60
Solvent (Melting Point)
petroleum ether
Cohen; Armes; Journal of the Chemical Society; vol. 89; (1906); p. 458, View in Reaxys Boiling Point (1) Boiling Point [°C] 157 - 158
Pressure (Boiling Point) [Torr]
References
11
Montagne; Recueil des Travaux Chimiques des Pays-Bas; vol. 19; (1900); p. 55, View in Reaxys
Crystal Property Description (2) Colour & Other Location Properties white
supporting information
light-yellow
References Srogl, Jiri; Hyvl, Jakub; Revesz, Agnes; Schroeder, Detlef; Chemical Communications; nb. 23; (2009); p. 3463 - 3465, View in Reaxys Patent; Neuraxon Inc.; US6919328; (2005); (B1) English, View in Reaxys
Further Information (1) Description (Fur- References ther Information) Further information
Al-Jallo; Jalhoom; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p. 1655,1658, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Srogl, Jiri; Hyvl, Jakub; Revesz, Agnes; Schroeder, Detlef; Chemical Communications; nb. 23; (2009); p. 3463 3465, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Henke, Adam; Srogl, Jiri; Journal of Organic Chemistry; vol. 73; nb. 19; (2008); p. 7783 - 7784, View in Reaxys IR Spectroscopy (2)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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1 of 2
Description (IR Spectroscopy)
Bands
Guirguis, Dalal B.; Egyptian Journal of Chemistry; vol. 42; nb. 1; (1999); p. 91 - 97, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Spectrum
Al-Jallo; Jalhoom; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p. 1655,1658, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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