Cas no 56348-79-9 (4-chloro-2,8-difluorophenoxathiine)
56348-79-9 structure
Product Name:4-chloro-2,8-difluorophenoxathiine
CAS No:56348-79-9
MF:C12H5ClF2OS
MW:270.682307958603
CID:1598176
PubChem ID:186692
Update Time:2025-04-21
4-chloro-2,8-difluorophenoxathiine Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-2,8-difluorophenoxathiine
- DTXSID00971781
- Phenoxathiin, 4-chloro-2,8-difluoro-
- 56348-79-9
-
- Inchi： 1S/C12H5ClF2OS/c13-8-3-7(15)5-11-12(8)16-9-2-1-6(14)4-10(9)17-11/h1-5H
- InChI Key： HLUHUTFNOSDCGF-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC2=C1OC1C=CC(=CC=1S2)F)F
Computed Properties
- Exact Mass: 269.97185
- Monoisotopic Mass: 269.97177
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 294
- 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
- Topological Polar Surface Area: 34.5
- XLogP3: 4.4
Experimental Properties
- Density: 1.529
- Boiling Point: 336.7°C at 760 mmHg
- Flash Point: 157.4°C
- Refractive Index: 1.64
- PSA: 9.23
4-chloro-2,8-difluorophenoxathiine Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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