Cas no 399-80-4 (1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro-)
![1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro- structure](https://ossimg.kuujia.com/scimg/500/399-80-4x500.png)
399-80-4 structure
Product Name:1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro-
CAS No:399-80-4
MF:C12H7F3O2S
MW:272.242992639542
CID:318963
PubChem ID:255173
Update Time:2025-04-19
1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro-
- 1-(1-benzothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
- 1-(1,3-benzodioxol-5-yl)-1-pentanol
- 1-(3,4-methylenedioxyphenyl)-n-pentanol
- 1-(3,4-methylenedioxyphenyl)-pentan-1-ol
- 1-(3,4-methylenedioxyphenyl)pentanol
- 1-benzo[1,3]dioxol-5-yl-pentan-1-ol
- 1-Benzo[b]thiophen-2-yl-4,4,4-trifluor-butan-1,3-dion
- 1-benzo[b]thiophen-2-yl-4,4,4-trifluoro-butane-1,3-dione
- AC1L5ALQ
- AC1Q6ZWL
- AR-1A9769
- CTK5A0048
- KST-1A9549
- NSC6605
- SureCN530292
- NSC-80430
- SCHEMBL1639689
- DTXSID60960439
- 399-80-4
- NSC80430
- NCIOpen2_004370
-
- Inchi： 1S/C12H7F3O2S/c13-12(14,15)11(17)6-8(16)10-5-7-3-1-2-4-9(7)18-10/h1-5H,6H2
- InChI Key： UGWUCJYFRPNSHU-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C=C1C(CC(C(F)(F)F)=O)=O
Computed Properties
- Exact Mass: 272.01191
- Monoisotopic Mass: 272.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 354
- 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: 3.9
- Topological Polar Surface Area: 62.4?2
Experimental Properties
- Density: 1.424
- Boiling Point: 351°C at 760 mmHg
- Flash Point: 166.1°C
- Refractive Index: 1.565
- PSA: 34.14
- LogP: 3.60550
1,3-Butanedione,1-benzo[b]thien-2-yl-4,4,4-trifluoro- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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