Cas no 1157-45-5 (1,3-Azulenedicarboxylicacid, 6-bromo-, 1,3-diethyl ester)
1157-45-5 structure
Product Name:1,3-Azulenedicarboxylicacid, 6-bromo-, 1,3-diethyl ester
CAS No:1157-45-5
MF:C16H15BrO4
MW:351.191904306412
CID:191060
PubChem ID:312938
Update Time:2025-04-19
1,3-Azulenedicarboxylicacid, 6-bromo-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Azulenedicarboxylicacid, 6-bromo-, 1,3-diethyl ester
- diethyl 6-bromoazulene-1,3-dicarboxylate
- 6-Brom-azulen-1,3-dicarbonsaeure-diaethylester
- 6-Bromazulen-1.3-dicarbonsaeurediaethylester
- 6-bromo-azulene-1,3-dicarboxylic acid diethyl ester
- AC1L7MEO
- NSC225266
- DTXSID90310327
- 1157-45-5
- NSC-225266
-
- Inchi： 1S/C16H15BrO4/c1-3-20-15(18)13-9-14(16(19)21-4-2)12-8-6-10(17)5-7-11(12)13/h5-9H,3-4H2,1-2H3
- InChI Key： DZRYUGSINUWEOP-UHFFFAOYSA-N
- SMILES： BrC1=CC=C2C(C(=O)OCC)=CC(C(=O)OCC)=C2C=C1
Computed Properties
- Exact Mass: 350.01535
- Monoisotopic Mass: 350.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 351
- 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
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.413
- Boiling Point: 444.1°C at 760 mmHg
- Flash Point: 222.4°C
- Refractive Index: 1.596
- PSA: 52.6
- LogP: 3.90730
1,3-Azulenedicarboxylicacid, 6-bromo-, 1,3-diethyl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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