Cas no 7231-37-0 (5-(1-cyclopenta-2,4-dienyl)pyrimidine; cyclopentane; iron)
7231-37-0 structure
Product Name:5-(1-cyclopenta-2,4-dienyl)pyrimidine; cyclopentane; iron
CAS No:7231-37-0
MF:C14H12FeN2
MW:264.103484153748
CID:1758522
PubChem ID:11985293
Update Time:2025-04-21
5-(1-cyclopenta-2,4-dienyl)pyrimidine; cyclopentane; iron Chemical and Physical Properties
Names and Identifiers
-
- 5-cyclopenta-2,4-dien-1-ylpyrimidine,cyclopentane,iron
- 5-(1-cyclopenta-2,4-dienyl)pyrimidine
- cyclopentane
- iron
- 7231-37-0
- 5-(1-cyclopenta-2,4-dienyl)pyrimidine; cyclopentane; iron
-
- Inchi： 1S/C9H7N2.C5H5.Fe/c1-2-4-8(3-1)9-5-10-7-11-6-9;1-2-4-5-3-1;/h1-7H;1-5H;/q-1;-5;
- InChI Key： MDCBWOZIQJYSLQ-UHFFFAOYSA-N
- SMILES： [Fe].N1C=NC=C(C=1)[C-]1C=CC=C1.[CH-]1[CH-][CH-][CH-][CH-]1
Computed Properties
- Exact Mass: 268.08674
- Monoisotopic Mass: 264.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 221
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 25.8A^2
Experimental Properties
- Boiling Point: 262.5°Cat760mmHg
- Flash Point: 116.8°C
- PSA: 25.78
5-(1-cyclopenta-2,4-dienyl)pyrimidine; cyclopentane; iron Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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