Cas no 121219-38-3 (Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)-)
![Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)- structure](https://ossimg.kuujia.com/scimg/121500/121219-38-3x500.png)
121219-38-3 structure
Product Name:Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)-
CAS No:121219-38-3
MF:C21H29NS
MW:327.526664495468
CID:104786
PubChem ID:3533590
Update Time:2025-04-18
Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)-
- 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
- 1-HEXYL-4-(4-ISOTHIOCYANATOPHENYL)-BICYC LO(2.2.2)OCTANE, 98
- 1-hexyl-4-(4-isothiocyanatophenyl)-bicyclo(2.2.2)
- DTXSID90393397
- SCHEMBL4524092
- 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2,2,2]octane
- 121219-38-3
- 1-hexyl-4-(4-isothiocyanatophenyl)bicyclo(2,2,2)octane
-
- Inchi： 1S/C21H29NS/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)18-6-8-19(9-7-18)22-17-23/h6-9H,2-5,10-16H2,1H3
- InChI Key： QFAIJDOQNIKXJY-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)C12CCC(CCCCCC)(CC1)CC2
Computed Properties
- Exact Mass: 327.20227
- Monoisotopic Mass: 327.202
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 405
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 9.5
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.06
- Melting Point: 50-82℃
- Boiling Point: 434.6°Cat760mmHg
- Flash Point: 233.8°C
- Refractive Index: 1.582
- PSA: 12.36
- Solubility: Not determined
Bicyclo[2.2.2]octane,1-hexyl-4-(4-isothiocyanatophenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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