Cas no 139995-69-0 (Benzoic acid, 2-chloro-4-nitro-, butyl ester)
139995-69-0 structure
Product Name:Benzoic acid, 2-chloro-4-nitro-, butyl ester
CAS No:139995-69-0
MF:C11H12ClNO4
MW:257.670282363892
CID:1283312
Update Time:2024-08-04
Benzoic acid, 2-chloro-4-nitro-, butyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-chloro-4-nitro-, butyl ester
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- Inchi： 1S/C11H12ClNO4/c1-2-3-6-17-11(14)9-5-4-8(13(15)16)7-10(9)12/h4-5,7H,2-3,6H2,1H3
- InChI Key： HTEQIKKGUYWQTD-UHFFFAOYSA-N
- SMILES： C(OCCCC)(=O)C1=CC=C([N+]([O-])=O)C=C1Cl
Computed Properties
- Exact Mass: 257.04556
Experimental Properties
- Density: 1.284±0.06 g/cm3(Predicted)
- Boiling Point: 198-201 °C(Press: 20 Torr)
- PSA: 69.44
Benzoic acid, 2-chloro-4-nitro-, butyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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