Cas no 46495-66-3 (Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato-)
46495-66-3 structure
Product Name:Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato-
CAS No:46495-66-3
MF:C8ClF3N2O2
MW:248.546010971069
CID:332594
PubChem ID:3016457
Update Time:2025-04-19
Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato-
- 1-chloro-2,3,5-trifluoro-4,6-diisocyanatobenzene
- 46495-66-3
- DTXSID40196855
- EINECS 256-271-2
- 6-chloro-2,4,5-trifluoro-1,3-phenylene diisocyanate
- NS00058122
- SCHEMBL1627559
-
- Inchi： 1S/C8ClF3N2O2/c9-3-4(10)5(11)8(14-2-16)6(12)7(3)13-1-15
- InChI Key： RDSWPXZXPBCUPU-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=C1N=C=O)F)N=C=O)F)F
Computed Properties
- Exact Mass: 247.9600394g/mol
- Monoisotopic Mass: 247.9600394g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 4.5
- Topological Polar Surface Area: 58.9?2
Benzene,1-chloro-2,3,5-trifluoro-4,6-diisocyanato- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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