Cas no 1000577-70-7 (2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate)
1000577-70-7 structure
Product Name:2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate
CAS No:1000577-70-7
MF:C8H2BrClF3NS
MW:316.525389194489
CID:3157742
PubChem ID:26599109
Update Time:2025-04-21
2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate
- 1000577-70-7
- 1-bromo-3-chloro-2-isothiocyanato-5-(trifluoromethyl)benzene
- QELJPSVIUGXLOF-UHFFFAOYSA-N
-
- MDL： MFCD09878110
- Inchi： 1S/C8H2BrClF3NS/c9-5-1-4(8(11,12)13)2-6(10)7(5)14-3-15/h1-2H
- InChI Key： QELJPSVIUGXLOF-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=CC(C(F)(F)F)=C1)Cl)N=C=S
Computed Properties
- Exact Mass: 314.87319Da
- Monoisotopic Mass: 314.87319Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 280
- 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: 5.5
- Topological Polar Surface Area: 44.5?2
2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
1000577-70-7 (2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate) Related Products
- 105172-76-7(Benzenamine, 2-bromo-5-chloro-3-(trifluoromethyl)-)
- 402714-30-1(BENZONITRILE, 3-CHLORO-4-ISOTHIOCYANATO-)
- 132897-81-5(Ethanimidoyl chloride, N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-)
- 65198-12-1(BENZENAMINE, 2-CHLORO-N-HYDROXY-4-(TRIFLUOROMETHYL)-)
- 688020-71-5(BENZALDEHYDE, 4-AMINO-3-BROMO-5-(TRIFLUOROMETHYL)-)
- 107986-67-4(Benzenamine, 2-chloro-N-(2-methylpropylidene)-4-(trifluoromethyl)-)
- 108761-81-5(1,4-Benzenediamine, 2-bromo-6-(trifluoromethyl)-)
- 63498-20-4(Benzoyl chloride, 4-amino-3-bromo-5-(trifluoromethyl)-)
- 147951-34-6(Methanimidamide, N'-(2-bromo-4-chloro-6-methylphenyl)-N,N-dimethyl-)
- 156639-47-3(2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline)
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