Cas no 1000572-98-4 (5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene)
1000572-98-4 structure
Product Name:5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene
CAS No:1000572-98-4
MF:C7H2BrClFNS
MW:266.51788187027
CID:2852973
PubChem ID:26599143
Update Time:2025-04-21
5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60650247
- 1000572-98-4
- 4-Bromo-2-chloro-6-fluorophenylisothiocyanate
- SCHEMBL20744683
- 5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene
-
- MDL： MFCD09878166
- Inchi： 1S/C7H2BrClFNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
- InChI Key： PEZYIXYCLBLUQK-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=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
5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
1000572-98-4 (5-Bromo-1-chloro-3-fluoro-2-isothiocyanatobenzene) Related Products
- 141106-52-7(2,4-Difluorophenyl isothiocyanate)
- 65295-69-4(1,3-difluoro-2-isocyanatobenzene)
- 207974-17-2(2,6-Difluorophenyl isothiocyanate)
- 38985-64-7(2-Fluorophenyl isothiocyanate)
- 112062-64-3(BENZENAMINE, 3-BROMO-2-CHLORO-4,5-DIFLUORO-)
- 206559-57-1(2,5-difluorophenyl isothiocyanate)
- 206761-91-3(2,4,6-Trifluorophenyl isothiocyanate)
- 112665-08-4(1-chloro-2,5-difluoro-4-isocyanatobenzene)
- 122452-23-7(Benzenamine, 5-bromo-3-chloro-2,4-difluoro-)
- 13876-78-3(Benzenamine, 2,5-dichloro-4-isothiocyanato-)
Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
