Cas no 50594-81-5 (Benzenamine, 2,3-dichloro-5-(trifluoromethyl)-)
50594-81-5 structure
Product Name:Benzenamine, 2,3-dichloro-5-(trifluoromethyl)-
CAS No:50594-81-5
MF:C7H4Cl2F3N
MW:230.014570236206
CID:364563
PubChem ID:13059276
Update Time:2025-04-19
Benzenamine, 2,3-dichloro-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2,3-dichloro-5-(trifluoromethyl)-
- LogP
- 2,3-dichloro-5-(trifluoromethyl)aniline
- 5-Amino-3,4-dichloro-alpha,alpha,alpha-trifluorotoluene
- 3-Amino-4,5-dichloro-1-(trifluoromethyl)benzene
- SCHEMBL1769094
- DTXSID20516719
- 50594-81-5
-
- Inchi： 1S/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2H,13H2
- InChI Key： QVGXDVUFEAAYHW-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C(F)(F)F)=CC=1N)Cl
Computed Properties
- Exact Mass: 228.96742
- Monoisotopic Mass: 228.9672890g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 3.4
- Topological Polar Surface Area: 26?2
Experimental Properties
- Density: 1.542
- Boiling Point: 238.1°C at 760 mmHg
- Flash Point: 97.8°C
- Refractive Index: 1.518
- PSA: 26.02
Benzenamine, 2,3-dichloro-5-(trifluoromethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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