Cas no 6944-63-4 (Benzoic acid,4-chloro-, nickel(2+) salt (2:1))
6944-63-4 structure
Product Name:Benzoic acid,4-chloro-, nickel(2+) salt (2:1)
CAS No:6944-63-4
MF:C7H5ClNiO2
MW:215.25980257988
CID:511606
PubChem ID:54598813
Update Time:2025-04-19
Benzoic acid,4-chloro-, nickel(2+) salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-chloro-, nickel(2+) salt (2:1)
- Benzoicacid, 4-chloro-, nickel(2+) salt (9CI)
- 4-chlorobenzoic acid,nickel
- NSC58964
- NSC-58964
- NSC176128
- DTXSID90712564
- 4-Chlorobenzoic acid--nickel (1/1)
- 6944-63-4
- NSC-176128
-
- Inchi: 1S/C7H5ClO2.Ni/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
- InChI Key: DKOIXUGWUOSKRH-UHFFFAOYSA-N
- SMILES: [Ni].ClC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 213.933
- Monoisotopic Mass: 213.933
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 128
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.374
- Melting Point: 243 DEG C
- Boiling Point: 287.2°Cat760mmHg
- Flash Point: 127.5°C
Benzoic acid,4-chloro-, nickel(2+) salt (2:1) Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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