Cas no 83121-16-8 (3,5-Dichloro-2,4-difluorophenyl isocyanate)
83121-16-8 structure
Product Name:3,5-Dichloro-2,4-difluorophenyl isocyanate
CAS No:83121-16-8
MF:C7HCl2F2NO
MW:223.991746664047
CID:1807263
PubChem ID:14047599
Update Time:2025-04-21
3,5-Dichloro-2,4-difluorophenyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dichloro-2,4-difluorophenyl isocyanate
- SCHEMBL9330859
- 1,3-dichloro-2,4-difluoro-5-isocyanatobenzene
- DTXSID801253010
- 83121-16-8
- ITBPSZBIEAPMPR-UHFFFAOYSA-N
- 2,4-Difluoro-3,5-dichlorophenyl isocyanate
-
- Inchi： 1S/C7HCl2F2NO/c8-3-1-4(12-2-13)7(11)5(9)6(3)10/h1H
- InChI Key： ITBPSZBIEAPMPR-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(=C1F)N=C=O)Cl)F
Computed Properties
- Exact Mass: 222.9403254g/mol
- Monoisotopic Mass: 222.9403254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 235
- 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: 4.2
- Topological Polar Surface Area: 29.4?2
3,5-Dichloro-2,4-difluorophenyl isocyanate Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
83121-16-8 (3,5-Dichloro-2,4-difluorophenyl isocyanate) Related Products
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