Cas no 1000572-68-8 (4-Bromo-2-chloro-5-fluorophenyl isothiocyanate)
1000572-68-8 structure
Product Name:4-Bromo-2-chloro-5-fluorophenyl isothiocyanate
CAS No:1000572-68-8
MF:C7H2BrClFNS
MW:266.51788187027
CID:3157779
PubChem ID:26599139
Update Time:2025-04-21
4-Bromo-2-chloro-5-fluorophenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2-chloro-5-fluorophenyl isothiocyanate
- 1-bromo-5-chloro-2-fluoro-4-isothiocyanatobenzene
- 1000572-68-8
-
- MDL： MFCD09878156
- Inchi： 1S/C7H2BrClFNS/c8-4-1-5(9)7(11-3-12)2-6(4)10/h1-2H
- InChI Key： BGOBMVOOKCFVHM-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=C(C=1)Cl)N=C=S)F
Computed Properties
- Exact Mass: 264.87639Da
- Monoisotopic Mass: 264.87639Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 210
- 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: 4.7
- Topological Polar Surface Area: 44.5?2
4-Bromo-2-chloro-5-fluorophenyl isothiocyanate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
1000572-68-8 (4-Bromo-2-chloro-5-fluorophenyl isothiocyanate) Related Products
- 112062-64-3(BENZENAMINE, 3-BROMO-2-CHLORO-4,5-DIFLUORO-)
- 1000574-53-7(4-Bromo-2,3-difluorophenyl isothiocyanate)
- 533914-13-5(BENZENE, 5-BROMO-1,3-DICHLORO-2-ISOCYANATO-)
- 122452-23-7(Benzenamine, 5-bromo-3-chloro-2,4-difluoro-)
- 765961-83-9(1,2-BENZENEDIAMINE, N2-(4-BROMO-2-CHLOROPHENYL)-3,4-DIFLUORO-)
- 149144-06-9(BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO-)
- 1000577-54-7(2-Bromo-6-chloro-4-fluorophenyl isothiocyanate)
- 1000577-70-7(2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate)
- 13876-78-3(Benzenamine, 2,5-dichloro-4-isothiocyanato-)
- 1016788-39-8(2-Chloro-4-fluoro-1-isocyanatobenzene)
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