Cas no 119916-20-0 (Benzenamine,3,4,6-trifluoro-2-methyl-)
119916-20-0 structure
Product Name:Benzenamine,3,4,6-trifluoro-2-methyl-
CAS No:119916-20-0
MF:C7H6F3N
MW:161.124452114105
CID:132326
PubChem ID:22625178
Update Time:2025-04-19
Benzenamine,3,4,6-trifluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3,4,6-trifluoro-2-methyl-
- 3,4,6-trifluoro-2-methylaniline
- Benzenamine, 3,4,6-trifluoro-2-methyl- (9CI)
- 2-methyl-3,4,6-trifluoroaniline
- RSIRVWMZSQLNIG-UHFFFAOYSA-N
- DTXSID80627052
- SCHEMBL7073277
- 119916-20-0
-
- Inchi： 1S/C7H6F3N/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3
- InChI Key： RSIRVWMZSQLNIG-UHFFFAOYSA-N
- SMILES： FC1=C(C=C(C(=C1C)N)F)F
Computed Properties
- Exact Mass: 161.04528
- Monoisotopic Mass: 161.04523368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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: 1.9
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine,3,4,6-trifluoro-2-methyl- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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